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: | 67 | |
|---|---|---|
| Name: | Estra-1,3,5(10)-trien-17-ol, (17.beta.)- | |
| Description: | ||
| Labels: | ||
| CAS: | 2529-64-8 | |
| InChi Code: | InChI=1S/C18H24O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-17,19H,6-11H2,1H3/t14-,15-,16+,17+,18+/m1/s1 |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| -0.3 |
experimental value |
| 0.0303 |
QSAR: Model for estrogen receptor relative binding affinity (Test set) |