| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2010 | 20 | Yes |
Popular Name: (3S)-3-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]butanenitrile (3S)-3-[4-(pyridine-2-carbonyl)-…
| 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) | 0.16 | 8.26 | -45.48 | 1 | 5 | 1 | 61 | 273.36 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.16 | 6.75 | -13.88 | 0 | 5 | 0 | 60 | 272.352 | 3 | ↓ |
