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: | 5-OHBaA | |
|---|---|---|
| Name: | 5-hydroxybenzo[a]anthracene | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C18H12O/c19-18-11-14-9-12-5-1-2-6-13(12)10-17(14)15-7-3-4-8-16(15)18/h1-11,19H |
Properties
logRBA: Relative binding affinity to hERa i
| Value | Source or prediction |
|---|---|
| -1.237 |
experimental value |
| -1.217 |
PLS: Model for polycyclic aromatic hydrocarbons (Validation set) |