| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 22nd, 2010 | 16 | Yes |
Popular Name: (2S)-2-(4-ethylpiperazine-1-carbonyl)-3-methyl-butanenitrile (2S)-2-(4-ethylpiperazine-1-carb…
| 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 | 3.91 | -6.72 | 0 | 4 | 0 | 47 | 223.32 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 6.12 | -40.26 | 1 | 4 | 1 | 49 | 224.328 | 3 | ↓ |
