| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 21 | Yes |
Popular Name: 3-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]benzonitrile 3-[[[2-methyl-2-(4-methylpiperaz…
| 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) | 1.96 | 7.79 | -104.19 | 3 | 4 | 2 | 48 | 288.439 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 6.22 | -35.56 | 2 | 4 | 1 | 43 | 287.431 | 5 | ↓ |
