In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 32 | Yes |
Popular Name: 3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-[2-(1-piperidyl)ethyl]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) | 4.97 | 13.99 | -47.34 | 4 | 7 | 1 | 83 | 431.564 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.97 | 13.6 | -85.34 | 5 | 7 | 2 | 85 | 432.572 | 8 | ↓ |