| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 18 | No |
Popular Name: 1-(1,4-diazepan-1-yl)-2-[(3S)-3-hydroxy-1-piperidyl]ethane-1,2-dione 1-(1,4-diazepan-1-yl)-2-[(3S)-3-…
| 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) | -1.66 | 0.61 | -49.37 | 3 | 6 | 1 | 77 | 256.326 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.66 | -0.69 | -11.45 | 2 | 6 | 0 | 73 | 255.318 | 1 | ↓ |
