In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 30 | Yes |
Popular Name: 3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 3-[[4-(3-methylanilino)pyrimidin…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.41 | 11.16 | -13.64 | 3 | 7 | 0 | 88 | 403.486 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.41 | 11.55 | -38.24 | 4 | 7 | 1 | 89 | 404.494 | 7 | ↓ |