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: | 39 | |
|---|---|---|
| Name: | Phenol, 4,4'-methylenebis- | |
| Description: | ||
| Labels: | ||
| CAS: | 620-92-8 | |
| InChi Code: | InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2 |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| -3.02 |
experimental value |
| -2.43 |
QSAR: Model for estrogen receptor relative binding affinity (Training set) |