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: | 3 | |
|---|---|---|
| Name: | heptyl 4-hydroxybenzoate | |
| Description: | ||
| Labels: | ||
| CAS: | 1085-12-7 | |
| InChi Code: | InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3 |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| -2.09 |
experimental value |
| -2.64 |
QSAR: Model for estrogen receptor relative binding affinity (Training set) |