| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2009 | 18 | Yes |
Popular Name: 1-(4-methylpiperazin-1-yl)-2-[methyl(4-piperidyl)amino]ethanone 1-(4-methylpiperazin-1-yl)-2-[me…
| 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) | -0.59 | 3.41 | -93.64 | 3 | 5 | 2 | 45 | 256.394 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.59 | 1.06 | -46.18 | 2 | 5 | 1 | 43 | 255.386 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.59 | 3.29 | -108.22 | 3 | 5 | 2 | 45 | 256.394 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.59 | 4.29 | -94.38 | 3 | 5 | 2 | 41 | 256.394 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.59 | 5.64 | -176.2 | 4 | 5 | 3 | 46 | 257.402 | 3 | ↓ |
