| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 29 | Yes |
Popular Name: N-(2-cyanoethyl)-N-methyl-3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]benzamide N-(2-cyanoethyl)-N-methyl-3-[[4-…
| 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) | 3.27 | 13.13 | -17.76 | 2 | 7 | 0 | 94 | 386.459 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.27 | 13.46 | -44.21 | 3 | 7 | 1 | 95 | 387.467 | 7 | ↓ |
