In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 29 | Yes |
Popular Name: N-(1,1-dimethylpropyl)-3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]benzamide N-(1,1-dimethylpropyl)-3-[[2-(3-…
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) | 5.72 | 12.64 | -11.68 | 3 | 6 | 0 | 79 | 389.503 | 7 | ↓ |
Lo Low (pH 4.5-6) | 5.72 | 12.98 | -37.65 | 4 | 6 | 1 | 80 | 390.511 | 7 | ↓ |