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:Frt
Name:Fluoranthene
Description:
Labels:
CAS:
InChi Code:InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H

Properties

logRBA: Relative binding affinity to hERa i

ValueSource or prediction
-2.301

experimental value

-2.617

PLS: Model for polycyclic aromatic hydrocarbons (Training set)

Links to External Resources