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: | 63 | |
|---|---|---|
| Name: | 4-dodecylphenol | |
| Description: | ||
| Labels: | ||
| CAS: | 104-43-8 | |
| InChi Code: | InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16,19H,2-12H2,1H3 |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| -1.73 |
experimental value |
| -1.11 |
QSAR: Model for estrogen receptor relative binding affinity (Test set) |