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: | 64 | |
|---|---|---|
| Name: | Phenol, 4-(heptyloxy)- | |
| Description: | ||
| Labels: | ||
| CAS: | 13037-86-0 | |
| InChi Code: | InChI=1S/C13H20O2/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10,14H,2-6,11H2,1H3 |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| -2.88 |
experimental value |
| -2.54 |
QSAR: Model for estrogen receptor relative binding affinity (Test set) |