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-OHFR | |
|---|---|---|
| Name: | 3-hydroxyfluoranthene | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C16H10O/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9,17H |
Properties
logRBA: Relative binding affinity to hERa i
| Value | Source or prediction |
|---|---|
| -0.684 |
experimental value |
| -0.79 |
PLS: Model for polycyclic aromatic hydrocarbons (Training set) |