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Nist

BDBM36194(cyclooctanol)

ΔG°: -20.8kJ/mole −TΔS°: -4.41kJ/mole ΔH°: -16.4kJ/mole logk: 4.41E+3
pH: 6.9 T: 25.00°C

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BDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)

Nist

BDBM23432(octanoate | octanoate, 1 | octanoic acid | octanoi...)

ΔG°: -19.3kJ/mole −TΔS°: 1.13kJ/mole ΔH°: -20.5kJ/mole logk: 2.45E+3
pH: 6.9 T: 25.00°C

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BDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)

Nist

BDBM36142(1-octylamine | n-Octylamine)

ΔG°: -19.3kJ/mole −TΔS°: 3.58kJ/mole ΔH°: -22.9kJ/mole logk: 2.38E+3
pH: 6.9 T: 25.00°C

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BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM36178(cycloheptanol)

ΔG°: -19.1kJ/mole −TΔS°: -6.71kJ/mole ΔH°: -12.4kJ/mole logk: 2.20E+3
pH: 6.9 T: 25.00°C

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BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM36193(trans-4-methylcyclohexanol)

ΔG°: -19kJ/mole −TΔS°: -9.93kJ/mole ΔH°: -9.06kJ/mole logk: 2.13E+3
pH: 6.9 T: 25.00°C

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BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM36145(cis-4-Methylcyclohexanol)

ΔG°: -18.1kJ/mole −TΔS°: -8.56kJ/mole ΔH°: -9.5kJ/mole logk: 1.46E+3
pH: 6.9 T: 25.00°C

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BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM36189(1-methylcyclohexanol)

ΔG°: -17.5kJ/mole −TΔS°: -7.90kJ/mole ΔH°: -9.58kJ/mole logk: 1.15E+3
pH: 6.9 T: 25.00°C

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BDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)

Nist

BDBM36202(1-methylheptylamine)

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ΔG°: -17.4kJ/mole −TΔS°: 2.39kJ/mole ΔH°: -19.8kJ/mole logk: 1.13E+3
pH: 6.9 T: 25.00°C

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BDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)

Nist

BDBM36141(1-heptylamine | n-Heptylamine)

ΔG°: -17.3kJ/mole −TΔS°: 2.18kJ/mole ΔH°: -19.5kJ/mole logk: 1.08E+3
pH: 6.9 T: 25.00°C

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BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM36190((+/-)-cis-2-methylcyclohexanol)

ΔG°: -17.1kJ/mole −TΔS°: -7.16kJ/mole ΔH°: -9.92kJ/mole logk: 981
pH: 6.9 T: 25.00°C

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BDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)

Nist

BDBM50240408(1-hexanecarboxylate | CH3-[CH2]5-COO(-) | enanthat...)

ΔG°: -16.7kJ/mole −TΔS°: 0.835kJ/mole ΔH°: -17.5kJ/mole logk: 843
pH: 6.9 T: 25.00°C

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BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM36192(3-methylcyclohexanol)

ΔG°: -16.7kJ/mole −TΔS°: -7.93kJ/mole ΔH°: -8.74kJ/mole logk: 830
pH: 6.9 T: 25.00°C

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BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM36191((+/-)-trans-2-methylcyclohexanol)

ΔG°: -16.4kJ/mole −TΔS°: -7.72kJ/mole ΔH°: -8.66kJ/mole logk: 741
pH: 6.9 T: 25.00°C

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BDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)

Nist

BDBM36187(1-methylhexylamine | Tuaminoheptane)

ΔG°: -15.1kJ/mole −TΔS°: 2.83kJ/mole ΔH°: -17.9kJ/mole logk: 439
pH: 6.9 T: 25.00°C

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BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM36184(4-phenylbutanoate)

ΔG°: -15.1kJ/mole −TΔS°: -3.28kJ/mole ΔH°: -11.8kJ/mole logk: 435
pH: 6.9 T: 25.00°C

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DrugBank MCE
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BDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)

Nist

BDBM36197(6-heptenoate)

ΔG°: -15.1kJ/mole −TΔS°: 3.70kJ/mole ΔH°: -18.7kJ/mole logk: 433
pH: 6.9 T: 25.00°C

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BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM36142(1-octylamine | n-Octylamine)

ΔG°: -15kJ/mole −TΔS°: -13.0kJ/mole ΔH°: -1.99kJ/mole logk: 420
pH: 6.9 T: 25.00°C

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BDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)

Nist

BDBM36140(1-hexylamine | hexylamine | n-Hexylamine)

ΔG°: -14.8kJ/mole −TΔS°: 2.77kJ/mole ΔH°: -17.5kJ/mole logk: 389
pH: 6.9 T: 25.00°C

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BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM36203(3-phenylbutanoate)

ChEBI
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ΔG°: -14.7kJ/mole −TΔS°: -5.31kJ/mole ΔH°: -9.41kJ/mole logk: 379
pH: 6.9 T: 25.00°C

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BDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)

Nist

BDBM36201(N-methylhexylamine)

ΔG°: -14.7kJ/mole −TΔS°: 2.86kJ/mole ΔH°: -17.6kJ/mole logk: 378
pH: 6.9 T: 25.00°C

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BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM50240408(1-hexanecarboxylate | CH3-[CH2]5-COO(-) | enanthat...)

ΔG°: -14.2kJ/mole −TΔS°: -16.0kJ/mole ΔH°: 1.75kJ/mole logk: 301
pH: 6.9 T: 25.00°C

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BDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)

Nist

BDBM36174(hexanoate | hexanoic acid | hexanoic acid-d11 | he...)

ΔG°: -14.1kJ/mole −TΔS°: 0.0894kJ/mole ΔH°: -14.2kJ/mole logk: 300
pH: 6.9 T: 25.00°C

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BDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)

Nist

BDBM36195(trans-2-hexenoate)

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ΔG°: -14.0kJ/mole −TΔS°: 3.25kJ/mole ΔH°: -17.2kJ/mole logk: 282
pH: 6.9 T: 25.00°C

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BDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)

Nist

BDBM36194(cyclooctanol)

ΔG°: -13.5kJ/mole −TΔS°: -9.54kJ/mole ΔH°: -3.90kJ/mole logk: 235
pH: 6.9 T: 25.00°C

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BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM36176(cyclopentanol)

ΔG°: -12.8kJ/mole −TΔS°: -8.20kJ/mole ΔH°: -4.56kJ/mole logk: 172
pH: 6.9 T: 25.00°C

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BDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)

Nist

BDBM36196(trans-3-hexenoate)

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PC cid PC sid

ΔG°: -12.6kJ/mole −TΔS°: 1.46kJ/mole ΔH°: -14.1kJ/mole logk: 161
pH: 6.9 T: 25.00°C

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BDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)

Nist

BDBM36139(1-pentylamine | n-Pentylamine)

ΔG°: -11.4kJ/mole −TΔS°: 2.36kJ/mole ΔH°: -13.7kJ/mole logk: 98.7
pH: 6.9 T: 25.00°C

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BDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)

Nist

BDBM36182(CHEMBL509357 | pentanoate | valerate)

ΔG°: -10.9kJ/mole −TΔS°: 0.656kJ/mole ΔH°: -11.5kJ/mole logk: 79.9
pH: 6.9 T: 25.00°C

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BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM36187(1-methylhexylamine | Tuaminoheptane)

ΔG°: -10.7kJ/mole −TΔS°: -12.7kJ/mole ΔH°: 1.96kJ/mole logk: 76
pH: 6.9 T: 25.00°C

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BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM36186(4-methoxyphenylacetate)

ΔG°: -10.5kJ/mole −TΔS°: -2.30kJ/mole ΔH°: -8.22kJ/mole logk: 69.3
pH: 6.9 T: 25.00°C

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BDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)

Nist

BDBM36178(cycloheptanol)

ΔG°: -10.5kJ/mole −TΔS°: 2.00kJ/mole ΔH°: -12.5kJ/mole logk: 68
pH: 6.9 T: 25.00°C

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BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM36140(1-hexylamine | hexylamine | n-Hexylamine)

ΔG°: -10.4kJ/mole −TΔS°: -12.9kJ/mole ΔH°: 2.5kJ/mole logk: 65
pH: 6.9 T: 25.00°C

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BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM36174(hexanoate | hexanoic acid | hexanoic acid-d11 | he...)

ΔG°: -9.54kJ/mole −TΔS°: -15.0kJ/mole ΔH°: 5.5kJ/mole logk: 46.9
pH: 6.9 T: 25.00°C

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BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM36134(4-methylphenylacetate | 4-tolylacetic acid)

ΔG°: -9.17kJ/mole −TΔS°: 2.92kJ/mole ΔH°: -12.1kJ/mole logk: 40.4
pH: 6.9 T: 25.00°C

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BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM36185(3-methoxyphenylacetate)

ΔG°: -9.02kJ/mole −TΔS°: 3.22kJ/mole ΔH°: -12.3kJ/mole logk: 38
pH: 6.9 T: 25.00°C

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BDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)

Nist

BDBM36176(cyclopentanol)

ΔG°: -8.91kJ/mole −TΔS°: 2.56kJ/mole ΔH°: -11.5kJ/mole logk: 36.4
pH: 6.9 T: 25.00°C

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BDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)

Nist

BDBM36188(cyclobutanol)

ΔG°: -8.46kJ/mole −TΔS°: 3.04kJ/mole ΔH°: -11.5kJ/mole logk: 30.3
pH: 6.9 T: 25.00°C

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BDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)

Nist

BDBM50240453((+/-)-2-methylbutanoate | 2-methylbutanoate | 2-me...)

ΔG°: -7.83kJ/mole −TΔS°: 4.68kJ/mole ΔH°: -12.5kJ/mole logk: 23.5
pH: 6.9 T: 25.00°C

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BDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)

Nist

BDBM36200(1-methylbutylamine)

ΔG°: -7.38kJ/mole −TΔS°: 3.82kJ/mole ΔH°: -11.2kJ/mole logk: 19.6
pH: 6.9 T: 25.00°C

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BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM36183(phenylacetate)

ΔG°: -7.10kJ/mole −TΔS°: 0.388kJ/mole ΔH°: -7.5kJ/mole logk: 17.4
pH: 6.9 T: 25.00°C

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BDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)

Nist

BDBM36199(N-methylbutylamine)

ΔG°: -7.05kJ/mole −TΔS°: 3.70kJ/mole ΔH°: -10.7kJ/mole logk: 17.2
pH: 6.9 T: 25.00°C

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BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM36181(SODIUM BENZOATE | benzoate | benzoic acid | benzoi...)

ΔG°: -6.86kJ/mole −TΔS°: 3.64kJ/mole ΔH°: -10.5kJ/mole logk: 15.9
pH: 6.9 T: 25.00°C

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BDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)

Nist

BDBM36198(1-butylamine)

ΔG°: -6.59kJ/mole −TΔS°: 2.50kJ/mole ΔH°: -9.10kJ/mole logk: 14.3
pH: 6.9 T: 25.00°C

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BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM36188(cyclobutanol)

ΔG°: -6.5kJ/mole −TΔS°: -10.2kJ/mole ΔH°: 3.70kJ/mole logk: 14
pH: 6.9 T: 25.00°C

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BDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)

Nist

BDBM50079401(CHEMBL62381 | Sodium butyrate | Sodium; butyrate |...)

ΔG°: -6.30kJ/mole −TΔS°: 4.29kJ/mole ΔH°: -10.6kJ/mole logk: 12.5
pH: 6.9 T: 25.00°C

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CHEMBL MCE
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BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM36133(3-methylphenylacetate | 3-tolylacetic acid)

ΔG°: -6.10kJ/mole −TΔS°: 5.40kJ/mole ΔH°: -11.5kJ/mole logk: 11.9
pH: 6.9 T: 25.00°C

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BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM36182(CHEMBL509357 | pentanoate | valerate)

ΔG°: -5.30kJ/mole −TΔS°: -13.2kJ/mole ΔH°: 7.90kJ/mole logk: 8.30
pH: 6.9 T: 25.00°C

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CHEMBL KEGG PC cid PC sid PDB Patents Similars

BDBM11(beta-cyclodextrin | betadex)

Nist

BDBM36139(1-pentylamine | n-Pentylamine)

ΔH°: 5kJ/mole logk: 8
pH: 6.9 T: 25.00°C

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