| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 17 | Yes |
Popular Name: (4-methyl-1,4-diazepan-1-yl)-[(2R,6S)-6-methyl-2-piperidyl]methanone (4-methyl-1,4-diazepan-1-yl)-[(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) | 0.84 | 6.09 | -91.59 | 3 | 4 | 2 | 41 | 241.379 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.84 | 4.11 | -39.57 | 2 | 4 | 1 | 40 | 240.371 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.84 | 4.83 | -40.88 | 2 | 4 | 1 | 37 | 240.371 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.84 | 2.85 | -8.47 | 1 | 4 | 0 | 36 | 239.363 | 1 | ↓ |
