| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2009 | 21 | Yes |
Popular Name: N-[[2-(4-methylpiperazin-1-yl)-3-quinolyl]methyl]ethanamine N-[[2-(4-methylpiperazin-1-yl)-3…
| 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) | 2.14 | 9.17 | -102.47 | 3 | 4 | 2 | 37 | 286.423 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.14 | 6.79 | -44.71 | 2 | 4 | 1 | 36 | 285.415 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.14 | 9.6 | -183.56 | 4 | 4 | 3 | 38 | 287.431 | 4 | ↓ |
