Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for human serum albumin binding. Q13-59-0008. Molcode Ltd., 2009.
Compound
| ID: | 28 | |
|---|---|---|
| Name: | (8alpha,9beta,13alpha,14beta,17alpha)-estra-1,3,5(10)-triene-3,17-diol | |
| Description: | ||
| Labels: | ||
| CAS: | 50-28-2 | |
| InChi Code: | InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15+,16-,17+,18-/m0/s1 |
Properties
logK: HPLC chromatographic retention index on immobilized albumin [mM]
| Value | Source or prediction |
|---|---|
| 0.68 |
experimental value |
| 0.493 |
QSAR: Model for in vitro protein binding assay (Training set) |