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:1
Name:Phenol, 4-(phenylmethoxy)-
Description:
Labels:
CAS:103-16-2
InChi Code:InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2

Properties

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

ValueSource or prediction
-3.44

experimental value

-2.61

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