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:42
Name:2-chloro-4-methylphenol
Description:
Labels:
CAS:6640-27-3
InChi Code:InChI=1S/C7H7ClO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3

Properties

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

ValueSource or prediction
-3.66

experimental value

-2.86

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