10967/187 - QDB Compounds

QsarDB Repository

Li, F.; Wu, H.; Li, L.; Li, X.; Zhao, J.; Peijnenburg, W. J. G. M. Docking and QSAR study on the binding interactions between polycyclic aromatic hydrocarbons and estrogen receptor. Ecotoxicology and Environmental Safety 2012, 80, 273 - 279.

Compound

ID:2-OHBcPh
Name:2-hydroxybenzo[c]phenanthrene
Description:
Labels:
CAS:
InChi Code:InChI=1S/C18H12O/c19-15-10-9-13-6-8-14-7-5-12-3-1-2-4-16(12)18(14)17(13)11-15/h1-11,19H

Properties

logRBA: Relative binding affinity to hERa i

ValueSource or prediction
-0.733

experimental value

-1.134

PLS: Model for polycyclic aromatic hydrocarbons (Validation set)