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: | 31 | |
|---|---|---|
| Name: | Phenol, 4,4'-[(1E)-1,2-diethyl-1,2-ethenediyl]bis- | |
| Description: | ||
| Labels: | ||
| CAS: | 56-53-1 | |
| InChi Code: | InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+ |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| 2.6 |
experimental value |
| 0.61 |
QSAR: Model for estrogen receptor relative binding affinity (Training set) |