Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for relative binding affinity to estrogen receptor. Q13-418a-0021. Molcode Ltd., 2009.
Compound
| ID: | 13 | |
|---|---|---|
| Name: | 4-octylphenol | |
| Description: | ||
| Labels: | ||
| CAS: | 1806-26-4 | |
| InChi Code: | InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3 |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| -2.31 |
experimental value |
| -2.07 |
QSAR: Model for estrogen receptor relative binding affinity (Training set) |