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: | 7 | |
|---|---|---|
| Name: | 4,4-bis(4-hydroxyphenyl)pentanoic acid | |
| Description: | ||
| Labels: | ||
| CAS: | 126-00-1 | |
| InChi Code: | InChI=1S/C17H18O4/c1-17(11-10-16(20)21,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,18-19H,10-11H2,1H3,(H,20,21) |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| -3.13 |
experimental value |
| -2.13 |
QSAR: Model for estrogen receptor relative binding affinity (Training set) |