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-OHBaA | |
|---|---|---|
| Name: | 3-hydroxybenzo[a]anthracene | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C18H12O/c19-16-7-8-17-15(10-16)6-5-14-9-12-3-1-2-4-13(12)11-18(14)17/h1-11,19H |
Properties
logRBA: Relative binding affinity to hERa i
| Value | Source or prediction |
|---|---|
| -0.642 |
experimental value |
| -0.618 |
PLS: Model for polycyclic aromatic hydrocarbons (Training set) |