10967/224 - 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 relative binding affinity to estrogen receptor. Q13-418a-0021. Molcode Ltd., 2009.

Compound

ID:58
Name:2-Propen-1-one, 1,3-diphenyl-
Description:
Labels:
CAS:94-41-7
InChi Code:InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H

Properties

logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]

ValueSource or prediction
-2.82

experimental value

-3.39

QSAR: Model for estrogen receptor relative binding affinity (Training set)