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: | 2 | |
|---|---|---|
| Name: | 4-Methylphenol | |
| Description: | ||
| Labels: | ||
| CAS: | 106-44-5 | |
| InChi Code: | InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3 |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| -4.5 |
experimental value |
| -4.27 |
QSAR: Model for estrogen receptor relative binding affinity (Training set) |