BDBM36192 3-methylcyclohexanol

SMILES CC1CCCC(O)C1

InChI Key InChIKey=HTSABYAWKQAHBT-UHFFFAOYSA-N

Data  1 ITC

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 36192   

HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36192(3-methylcyclohexanol)
ITC DataΔG°: -3.98kcal/mole −TΔS°: -1.89kcal/mole ΔH°: -2.09kcal/mole logk: 830
pH: 6.9 T: 25.00°C 
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