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: | 4 | |
|---|---|---|
| Name: | Benzoic acid, 4-hydroxy-, ethyl ester | |
| Description: | ||
| Labels: | ||
| CAS: | 120-47-8 | |
| InChi Code: | InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3 |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| -3.22 |
experimental value |
| -3.91 |
QSAR: Model for estrogen receptor relative binding affinity (Training set) |