BDBM36174 hexanoate::hexanoic acid::hexanoic acid-d11::hexoate::n-Hexanoate

SMILES CCCCCC([O-])=O

InChI Key InChIKey=FUZZWVXGSFPDMH-UHFFFAOYSA-M

Data  10 ITC

  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 = 36174   

HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36174(hexanoate | hexanoic acid | hexanoic acid-d11 | he...)
ITC DataΔG°: -2.28kcal/mole −TΔS°: -3.59kcal/mole ΔH°: 1.31kcal/mole logk: 46.9
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

GuestPNGBDBM36174(hexanoate | hexanoic acid | hexanoic acid-d11 | he...)
ITC DataΔG°: -3.38kcal/mole −TΔS°: 0.0214kcal/mole ΔH°: -3.40kcal/mole logk: 300
pH: 6.9 T: 25.00°C 
In DepthDetails Article