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: | 57 | |
|---|---|---|
| Name: | 2,4-Pyrimidinediamine, 5-[(3,4,5-trimethoxyphenyl)methyl]- | |
| Description: | ||
| Labels: | ||
| CAS: | 738-70-5 | |
| InChi Code: | InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) |
Properties
logK: HPLC chromatographic retention index on immobilized albumin [mM]
| Value | Source or prediction |
|---|---|
| -0.26 |
experimental value |
| -0.0924 |
QSAR: Model for in vitro protein binding assay (Training set) |