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: | 1-OHPy | |
|---|---|---|
| Name: | 1-hydroxypyrene | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H |
Properties
logRBA: Relative binding affinity to hERa i
| Value | Source or prediction |
|---|---|
| -0.959 |
experimental value |
| -1.064 |
PLS: Model for polycyclic aromatic hydrocarbons (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1038298 | US EPA CompTox Dashboard |