| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2008 | 17 | Yes |
Popular Name: 2-(1,4-diazepan-1-yl)-1-(4-methylpiperazin-1-yl)ethanone 2-(1,4-diazepan-1-yl)-1-(4-methy…
None
| 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 | 1.58 | -39.1 | 2 | 5 | 1 | 40 | 241.359 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.85 | -0.35 | -8.38 | 1 | 5 | 0 | 39 | 240.351 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.85 | 3.97 | -96.5 | 3 | 5 | 2 | 41 | 242.367 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.85 | 3.23 | -89.06 | 3 | 5 | 2 | 45 | 242.367 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.85 | 5.36 | -180.49 | 4 | 5 | 3 | 46 | 243.375 | 2 | ↓ |
