10967/227 - QDB Compounds

QsarDB Repository

Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for human serum albumin binding. Q13-59-0008. Molcode Ltd., 2009.

Compound

ID:31
Name:Benzoic acid, 2-(acetyloxy)-
Description:
Labels:
CAS:50-78-2
InChi Code:InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)

Properties

logK: HPLC chromatographic retention index on immobilized albumin [mM]

ValueSource or prediction
-1.39

experimental value

-1.1

QSAR: Model for in vitro protein binding assay (Training set)