| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 19 | No |
Popular Name: 1-(1,4-diazepan-1-yl)-2-[(2S)-2-ethyl-1-piperidyl]ethane-1,2-dione 1-(1,4-diazepan-1-yl)-2-[(2S)-2-…
| 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) | 0.36 | 5.18 | -46.36 | 2 | 5 | 1 | 57 | 268.381 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.36 | 3.85 | -10.5 | 1 | 5 | 0 | 53 | 267.373 | 2 | ↓ |
