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: | 24 | |
|---|---|---|
| Name: | (2S)-2-ethylhexyl 4-hydroxybenzoate | |
| Description: | ||
| Labels: | ||
| CAS: | 5153-25-3 | |
| InChi Code: | InChI=1S/C15H22O3/c1-3-5-6-12(4-2)11-18-15(17)13-7-9-14(16)10-8-13/h7-10,12,16H,3-6,11H2,1-2H3/t12-/m0/s1 |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| -1.74 |
experimental value |
| -2.18 |
QSAR: Model for estrogen receptor relative binding affinity (Training set) |