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: | 3-OHBbFR | |
|---|---|---|
| Name: | 3-hydroxybenzo[b]fluoranthene | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C20H12O/c21-18-10-9-16-13-6-2-1-5-12(13)11-17-14-7-3-4-8-15(14)20(18)19(16)17/h1-11,21H |
Properties
logRBA: Relative binding affinity to hERa i
| Value | Source or prediction |
|---|---|
| -0.824 |
experimental value |
| -0.851 |
PLS: Model for polycyclic aromatic hydrocarbons (Training set) |