| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2004 | 19 | Yes |
Popular Name: 3-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]benzonitrile 3-[(4-methyl-1,4-diazepan-4-ium-…
| 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) | 1.14 | 5.4 | -48.23 | 1 | 5 | 1 | 66 | 280.373 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | 3.27 | -10.31 | 0 | 5 | 0 | 64 | 279.365 | 2 | ↓ |
