| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2010 | 20 | Yes |
Popular Name: 3-[(2S)-1-(1,4-diazepane-1-carbonyl)-2-piperidyl]propanoic 3-[(2S)-1-(1,4-diazepane-1-carbo…
| 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) | 0.49 | 6.59 | -81.05 | 2 | 6 | 0 | 80 | 283.372 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | 4.73 | -61.97 | 1 | 6 | -1 | 76 | 282.364 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.49 | 4.6 | -48.84 | 3 | 6 | 1 | 77 | 284.38 | 3 | ↓ |
