| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 25th, 2010 | 15 | Yes |
Popular Name: 1-(1,4-diazepan-1-yl)-2-[(2S)-pyrrolidin-2-yl]ethanone 1-(1,4-diazepan-1-yl)-2-[(2S)-py…
| 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) | 0.90 | 3.76 | -91.77 | 4 | 4 | 2 | 54 | 213.325 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.90 | 2.41 | -34.26 | 3 | 4 | 1 | 49 | 212.317 | 2 | ↓ |
