In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 31 | Yes |
Popular Name: 3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-(4-methylcyclohexyl)benzamide 3-[[2-(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) | 5.71 | 14.55 | -11.8 | 3 | 6 | 0 | 79 | 415.541 | 6 | ↓ |
Lo Low (pH 4.5-6) | 5.71 | 14.17 | -40.09 | 4 | 6 | 1 | 80 | 416.549 | 6 | ↓ |