| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 16th, 2008 | 17 | Yes |
Popular Name: 1-[4-(4-methyl-1,4-diazepan-1-yl)-1-piperidyl]ethanone 1-[4-(4-methyl-1,4-diazepan-1-yl…
| 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) | 0.29 | 4.9 | -39.8 | 1 | 4 | 1 | 28 | 240.371 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.29 | 4.71 | -43.07 | 1 | 4 | 1 | 28 | 240.371 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.29 | 6.78 | -120.06 | 2 | 4 | 2 | 29 | 241.379 | 1 | ↓ |
