| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 17 | Yes |
Popular Name: 2-(4-methyl-1,4-diazepan-1-yl)-1-piperazin-1-yl-ethanone 2-(4-methyl-1,4-diazepan-1-yl)-1…
| 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) | -0.85 | 1.77 | -34.98 | 2 | 5 | 1 | 40 | 241.359 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.85 | -0.49 | -8.71 | 1 | 5 | 0 | 39 | 240.351 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.85 | 1.5 | -36.49 | 2 | 5 | 1 | 40 | 241.359 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.85 | 2.88 | -98.46 | 3 | 5 | 2 | 45 | 242.367 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.85 | 3.29 | -86.46 | 3 | 5 | 2 | 45 | 242.367 | 2 | ↓ |
