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 6 hits for monomerid = 5   

HostPNGBDBM11(beta-cyclodextrin | betadex)
Nankai University

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.88kcal/mole −TΔS°: -2.44kcal/mole ΔH°: -1.45kcal/mole logk: 707
pH: 7.2 T: 25.00°C 
HostPNGBDBM36267(6-O-phenyl-beta-cyclodextrin)
Nankai University

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.98kcal/mole −TΔS°: -2.54kcal/mole ΔH°: -1.45kcal/mole logk: 835
pH: 7.2 T: 25.00°C 
HostPNGBDBM36268(6-O-(4-formylphenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -4.07kcal/mole −TΔS°: -3.60kcal/mole ΔH°: -0.480kcal/mole logk: 964
pH: 7.2 T: 25.00°C 
HostPNGBDBM36269(6-O-(4-nitrophenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -4.31kcal/mole −TΔS°: -3.49kcal/mole ΔH°: -0.822kcal/mole logk: 1.43E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM36270(6-O-(4-bromophenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -4.38kcal/mole −TΔS°: -3.56kcal/mole ΔH°: -0.822kcal/mole logk: 1.63E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM36271(6-O-(4-chlorophenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -4.22kcal/mole −TΔS°: -2.83kcal/mole ΔH°: -1.39kcal/mole logk: 1.25E+3
pH: 7.2 T: 25.00°C