BDBM36157 (+/-)-2-butanol

SMILES CCC(C)O

InChI Key InChIKey=BTANRVKWQNVYAZ-UHFFFAOYSA-N

Data  2 ITC

PDB links: 6 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 2 hits for monomerid = 36157   

HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36157((+/-)-2-butanol)
ITC DataΔG°: -1.53kcal/mole −TΔS°: -2.71kcal/mole ΔH°: 1.17kcal/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

GuestPNGBDBM36157((+/-)-2-butanol)
ITC DataΔG°: -1.96kcal/mole −TΔS°: 0.406kcal/mole ΔH°: -2.36kcal/mole logk: 27.8
pH: 6.9 T: 25.00°C 
In DepthDetails Article