| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 19 | Yes |
Popular Name: 2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile 2-[(4-methyl-1,4-diazepan-1-yl)s…
| 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) | 1.12 | 4.88 | -44.63 | 1 | 5 | 1 | 66 | 280.373 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | 2.71 | -11.18 | 0 | 5 | 0 | 64 | 279.365 | 2 | ↓ |
