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: | 36 | |
|---|---|---|
| Name: | 4-(1-methyl-1-phenylethyl)phenol | |
| Description: | ||
| Labels: | ||
| CAS: | 599-64-4 | |
| InChi Code: | InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3 |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| -2.3 |
experimental value |
| -1.82 |
QSAR: Model for estrogen receptor relative binding affinity (Training set) |