Compile Data Set for Download or QSAR
maximum 50k data

Found 28 hits with all data for this entryid   

HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36163((S)-(+)-2-heptanol)
ITC DataΔG°: -16.5kJ/mole −TΔS°: 5.37kJ/mole ΔH°: -22kJ/mole logk: 763
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36164((R)-(-)-2-heptanol)
ITC DataΔG°: -16.4kJ/mole −TΔS°: 5.66kJ/mole ΔH°: -22.1kJ/mole logk: 758
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36160((R)-(-)-2-hexanol)
ITC DataΔG°: -14.6kJ/mole −TΔS°: 1.79kJ/mole ΔH°: -16.4kJ/mole logk: 359
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36162((S)-(+)-2-hexanol)
ITC DataΔG°: -14.5kJ/mole −TΔS°: 2.39kJ/mole ΔH°: -16.9kJ/mole logk: 347
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36160((R)-(-)-2-hexanol)
ITC DataΔG°: -14.5kJ/mole −TΔS°: 2.68kJ/mole ΔH°: -17.2kJ/mole logk: 344
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36158((S)-(+)-2-pentanol)
ITC DataΔG°: -12kJ/mole −TΔS°: 3.19kJ/mole ΔH°: -15.2kJ/mole logk: 125
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36159((R)-(-)-2-pentanol)
ITC DataΔG°: -12kJ/mole −TΔS°: 3.40kJ/mole ΔH°: -15.4kJ/mole logk: 126
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36160((R)-(-)-2-hexanol)
ITC DataΔG°: -11.8kJ/mole −TΔS°: -13.7kJ/mole ΔH°: 1.90kJ/mole logk: 118
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36152(L-phenylalanineamide)
ITC DataΔG°: -11.6kJ/mole −TΔS°: 0.298kJ/mole ΔH°: -11.9kJ/mole logk: 107
pH: 10.02 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36173(1-butanol | 1-butanol-d10 | CHEMBL14245)
ITC DataΔG°: -10.9kJ/mole −TΔS°: 0.894kJ/mole ΔH°: -11.6kJ/mole logk: 79.7
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36159((R)-(-)-2-pentanol)
ITC DataΔG°: -8.70kJ/mole −TΔS°: -12.5kJ/mole ΔH°: 3.70kJ/mole logk: 33
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36158((S)-(+)-2-pentanol)
ITC DataΔG°: -8.60kJ/mole −TΔS°: -12.8kJ/mole ΔH°: 4.10kJ/mole logk: 32
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36157((+/-)-2-butanol)
ITC DataΔG°: -8.20kJ/mole −TΔS°: 1.70kJ/mole ΔH°: -9.90kJ/mole logk: 27.8
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36156((R)-(-)-2-butanol)
ITC DataΔG°: -7.90kJ/mole −TΔS°: 3.10kJ/mole ΔH°: -11kJ/mole logk: 24.5
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36155((S)-(+)-2-butanol)
ITC DataΔG°: -7.90kJ/mole −TΔS°: 3.28kJ/mole ΔH°: -11.1kJ/mole logk: 24.1
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36152(L-phenylalanineamide)
ITC DataΔG°: -7.70kJ/mole −TΔS°: 1.31kJ/mole ΔH°: -9kJ/mole logk: 22
pH: 5.01 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36155((S)-(+)-2-butanol)
ITC DataΔG°: -7.40kJ/mole −TΔS°: -10.7kJ/mole ΔH°: 3.20kJ/mole logk: 20
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36152(L-phenylalanineamide)
ITC DataΔG°: -7.20kJ/mole −TΔS°: 11.0kJ/mole ΔH°: -18.2kJ/mole logk: 18.6
pH: 10.02 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36173(1-butanol | 1-butanol-d10 | CHEMBL14245)
ITC DataΔG°: -6.90kJ/mole −TΔS°: -11.2kJ/mole ΔH°: 4.30kJ/mole logk: 16
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36156((R)-(-)-2-butanol)
ITC DataΔG°: -6.40kJ/mole −TΔS°: -11.3kJ/mole ΔH°: 4.90kJ/mole logk: 13
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36157((+/-)-2-butanol)
ITC DataΔG°: -6.40kJ/mole −TΔS°: -11.3kJ/mole ΔH°: 4.90kJ/mole logk: 13
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36152(L-phenylalanineamide)
ITC DataΔG°: -6.20kJ/mole −TΔS°: 8.05kJ/mole ΔH°: -14.3kJ/mole logk: 12
pH: 5.01 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36154(2-propanol | ISOPROPYL ALCOHOL)
ITC DataΔG°: -5.60kJ/mole −TΔS°: -4.47kJ/mole ΔH°: -1.20kJ/mole logk: 9.70
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36161(D-phenylalanine)
ITC DataΔG°: -5.20kJ/mole −TΔS°: 9.84kJ/mole ΔH°: -15kJ/mole logk: 8
pH: 5.01 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
ITC DataΔG°: -5.20kJ/mole −TΔS°: 6.86kJ/mole ΔH°: -12kJ/mole logk: 8
pH: 5.01 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36153(1-propanol)
ITC DataΔG°: -3.70kJ/mole −TΔS°: -9.84kJ/mole ΔH°: 6kJ/mole logk: 4.5
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
ITC DataΔG°: -3kJ/mole −TΔS°: 8.94kJ/mole ΔH°: -12kJ/mole logk: 3
pH: 5.01 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36154(2-propanol | ISOPROPYL ALCOHOL)
ITC DataΔG°: -2.40kJ/mole −TΔS°: -13.4kJ/mole ΔH°: 11.1kJ/mole logk: 2.60
pH: 6.9 T: 25.00°C 
In DepthDetails Article
  • Reorder this table by ΔH°
  • Reorder this table by ΔS°
  • Reorder this table by pH
  • Reorder this table by T
  • Change energy unit to:  kcal/mol