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)
Nih

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.85kcal/mole −TΔS°: -3.17kcal/mole ΔH°: -0.680kcal/mole logk: 844
pH: 6.9 T: 14.50°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nih

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.87kcal/mole −TΔS°: -2.33kcal/mole ΔH°: -1.55kcal/mole logk: 689
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nih

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.91kcal/mole −TΔS°: -1.58kcal/mole ΔH°: -2.34kcal/mole logk: 593
pH: 6.9 T: 35.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nih

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.95kcal/mole −TΔS°: -0.859kcal/mole ΔH°: -3.10kcal/mole logk: 515
pH: 6.9 T: 45.00°C