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: | 10 | |
|---|---|---|
| Name: | 4-(1,1,3,3-tetramethylbutyl)phenol | |
| Description: | ||
| Labels: | ||
| CAS: | 140-66-9 | |
| InChi Code: | InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3 |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| -1.82 |
experimental value |
| -2.36 |
QSAR: Model for estrogen receptor relative binding affinity (Training set) |