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: | 52 | |
|---|---|---|
| Name: | 2-sec-butylphenol | |
| Description: | ||
| Labels: | ||
| CAS: | 89-72-5 | |
| InChi Code: | InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3 |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| -3.54 |
experimental value |
| -3.12 |
QSAR: Model for estrogen receptor relative binding affinity (Training set) |