| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 22nd, 2010 | 19 | Yes |
Popular Name: 3-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]propanenitrile 3-[4-(pyridine-2-carbonyl)-1,4-d…
| 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) | -0.17 | 8.17 | -56.23 | 1 | 5 | 1 | 61 | 259.333 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.17 | 6.38 | -13.31 | 0 | 5 | 0 | 60 | 258.325 | 3 | ↓ |
