| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 16 | Yes |
Popular Name: (4-methyl-1,4-diazepan-1-yl)-[(2S)-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) | 0.51 | 5.78 | -93.07 | 3 | 4 | 2 | 41 | 227.352 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.51 | 3.25 | -36.18 | 2 | 4 | 1 | 40 | 226.344 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.51 | 1.97 | -8.38 | 1 | 4 | 0 | 36 | 225.336 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.51 | 4.5 | -43 | 2 | 4 | 1 | 37 | 226.344 | 1 | ↓ |
