BDBM5 cyclohexanol::cyclohexanol-d12

SMILES OC1CCCCC1

InChI Key InChIKey=HPXRVTGHNJAIIH-UHFFFAOYSA-N

Data  30 ITC

PDB links: 2 PDB IDs match 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 4 hits for monomerid = 5   

HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.88kcal/mole −TΔS°: -2.36kcal/mole ΔH°: -1.50kcal/mole logk: 701
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.92kcal/mole −TΔS°: -2.49kcal/mole ΔH°: -1.43kcal/mole logk: 746
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.81kcal/mole −TΔS°: -2.34kcal/mole ΔH°: -1.48kcal/mole logk: 624
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Japan Science and Technology Agency

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.87kcal/mole −TΔS°: -2.54kcal/mole ΔH°: -1.33kcal/mole logk: 690
pH: 6.9 T: 25.00°C