| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2010 | 19 | Yes |
Popular Name: 1-(4-methylpiperazin-1-yl)-2-[(1-methyl-4-piperidyl)methylamino]ethanone 1-(4-methylpiperazin-1-yl)-2-[(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) | -0.21 | 4.55 | -100.77 | 3 | 5 | 2 | 45 | 270.421 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.21 | 3.32 | -37.31 | 2 | 5 | 1 | 40 | 269.413 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.21 | 6.91 | -166.71 | 4 | 5 | 3 | 46 | 271.429 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.21 | 5.67 | -82.51 | 3 | 5 | 2 | 41 | 270.421 | 4 | ↓ |
