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: | 2-OHCh | |
|---|---|---|
| Name: | 2-hydroxychrysene | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C18H12O/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h1-11,19H |
Properties
logRBA: Relative binding affinity to hERa i
| Value | Source or prediction |
|---|---|
| -0.391 |
experimental value |
| -0.577 |
PLS: Model for polycyclic aromatic hydrocarbons (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID80216167 | US EPA CompTox Dashboard |