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: | 56 | |
|---|---|---|
| Name: | Benzoic acid, 4-hydroxy-, phenylmethyl ester | |
| Description: | ||
| Labels: | ||
| CAS: | 94-18-8 | |
| InChi Code: | InChI=1S/C14H12O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2 |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| -2.54 |
experimental value |
| -2.36 |
QSAR: Model for estrogen receptor relative binding affinity (Training set) |