| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 33 | Yes |
Popular Name: N-[2-(azepan-1-yl)ethyl]-3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]benzamide N-[2-(azepan-1-yl)ethyl]-3-[[2-(…
| 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) | 5.48 | 14.52 | -48.48 | 4 | 7 | 1 | 83 | 445.591 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 5.48 | 14.18 | -86.68 | 5 | 7 | 2 | 85 | 446.599 | 8 | ↓ |
