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: | 13 | |
|---|---|---|
| Name: | (2S)-2-(3-benzoylphenyl)propanoic acid | |
| Description: | ||
| Labels: | ||
| CAS: | 22071-15-4 | |
| InChi Code: | InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1 |
Properties
logK: HPLC chromatographic retention index on immobilized albumin [mM]
| Value | Source or prediction |
|---|---|
| 0.03 |
experimental value |
| -0.0781 |
QSAR: Model for in vitro protein binding assay (Training set) |