BDBM36134 4-methylphenylacetate::4-tolylacetic acid

SMILES Cc1ccc(CC([O-])=O)cc1

InChI Key InChIKey=GXXXUZIRGXYDFP-UHFFFAOYSA-M

Data  2 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 = 36134   

HostPNGBDBM36127(6-NH2-beta-cyclodextrin | mono(6-amino-6-deoxy)-be...)
Japan Science and Technology Agency

GuestPNGBDBM36134(4-methylphenylacetate | 4-tolylacetic acid)
ITC DataΔG°: -3.08kcal/mole −TΔS°: -0.427kcal/mole ΔH°: -2.64kcal/mole logk: 181
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(betadex | beta-cyclodextrin)
Nist

GuestPNGBDBM36134(4-methylphenylacetate | 4-tolylacetic acid)
ITC DataΔG°: -2.19kcal/mole −TΔS°: 0.698kcal/mole ΔH°: -2.89kcal/mole logk: 40.4
pH: 6.9 T: 25.00°C 
In DepthDetails Article