| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2010 | 19 | Yes |
Popular Name: 3-[(3S)-3-(azepane-1-carbonyl)-1-piperidyl]propanenitrile 3-[(3S)-3-(azepane-1-carbonyl)-1…
| 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) | 1.34 | 8.66 | -53.58 | 1 | 4 | 1 | 49 | 264.393 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.34 | 6.43 | -12.33 | 0 | 4 | 0 | 47 | 263.385 | 3 | ↓ |
