| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2010 | 19 | Yes |
Popular Name: 3-[4-(1,4-diazepane-1-carbonyl)-1-piperidyl]propanenitrile 3-[4-(1,4-diazepane-1-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) | -0.51 | 6.61 | -108.05 | 3 | 5 | 2 | 65 | 266.389 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.51 | 3.17 | -12.11 | 1 | 5 | 0 | 59 | 264.373 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.51 | 4.36 | -50.26 | 2 | 5 | 1 | 64 | 265.381 | 3 | ↓ |
