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: | 13-OHBgCh | |
|---|---|---|
| Name: | 13-hydroxybenzo[g]chrysene | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C22H14O/c23-15-11-9-14-10-12-20-18-7-2-1-5-16(18)17-6-3-4-8-19(17)22(20)21(14)13-15/h1-13,23H |
Properties
logRBA: Relative binding affinity to hERa i
| Value | Source or prediction |
|---|---|
| -0.87 |
experimental value |
| -0.926 |
PLS: Model for polycyclic aromatic hydrocarbons (Training set) |