10967/227 - QDB Compounds

QsarDB Repository

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]

ValueSource or prediction
0.04

experimental value

0.0628

QSAR: Model for in vitro protein binding assay (Training set)