| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 22nd, 2010 | 15 | Yes |
Popular Name: (2S)-3-methyl-2-(4-methylpiperazine-1-carbonyl)butanenitrile (2S)-3-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) | 1.59 | 3.09 | -6.83 | 0 | 4 | 0 | 47 | 209.293 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.59 | 5.45 | -41.83 | 1 | 4 | 1 | 49 | 210.301 | 2 | ↓ |
