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: | 7 | |
|---|---|---|
| Name: | (2S)-1-(isopropylamino)-3-{2-[(1E)-prop-1-en-1-yl]phenoxy}propan-2-ol | |
| Description: | Structure (mol-file) and name does not match | |
| Labels: | ||
| CAS: | 13655-52-2 | |
| InChi Code: | InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-9,12,14,16-17H,10-11H2,1-3H3/b7-4+/t14-/m0/s1 |
Properties
logK: HPLC chromatographic retention index on immobilized albumin [mM]
| Value | Source or prediction |
|---|---|
| 0.04 |
experimental value |
| 0.0628 |
QSAR: Model for in vitro protein binding assay (Training set) |