| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 16 | Yes |
Popular Name: 2-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carbonitrile 2-(4-methyl-1,4-diazepan-1-yl)py…
| 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) | 1.01 | 6.44 | -36.64 | 1 | 4 | 1 | 44 | 217.296 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.01 | 4.41 | -7.33 | 0 | 4 | 0 | 43 | 216.288 | 1 | ↓ |
