In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 33 | Yes |
Popular Name: N-methyl-3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]-N-[2-(2-pyridyl)ethyl]benzamide N-methyl-3-[[6-(3-methylanilino)…
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) | 4.46 | 14.48 | -14.23 | 2 | 7 | 0 | 83 | 438.535 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.46 | 14.83 | -39.61 | 3 | 7 | 1 | 84 | 439.543 | 8 | ↓ |