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: | 35 | |
|---|---|---|
| Name: | Phenol, 4-chloro-3-methyl- | |
| Description: | ||
| Labels: | ||
| CAS: | 59-50-7 | |
| InChi Code: | InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3 |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| -3.38 |
experimental value |
| -3.13 |
QSAR: Model for estrogen receptor relative binding affinity (Training set) |