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: | 50 | |
|---|---|---|
| Name: | 4-(1,1-dimethylpropyl)phenol | |
| Description: | ||
| Labels: | ||
| CAS: | 80-46-6 | |
| InChi Code: | InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3 |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| -3.26 |
experimental value |
| -2.83 |
QSAR: Model for estrogen receptor relative binding affinity (Training set) |