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: | 21 | |
|---|---|---|
| Name: | 1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis- | |
| Description: | ||
| Labels: | ||
| CAS: | 500-38-9 | |
| InChi Code: | InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3 |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| -1.51 |
experimental value |
| -1.69 |
QSAR: Model for estrogen receptor relative binding affinity (Training set) |