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-OHPh
Name:2-Hydroxyphenanthrene
Description:
Labels:
CAS:
InChi Code:InChI=1S/C14H10O/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9,15H

Properties

logRBA: Relative binding affinity to hERa i

ValueSource or prediction
-0.635

experimental value

-0.525

PLS: Model for polycyclic aromatic hydrocarbons (Training set)

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