| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 22nd, 2010 | 14 | Yes |
Popular Name: (2S)-3-(4-ethylpiperazin-1-yl)-2-methyl-3-oxo-propanenitrile (2S)-3-(4-ethylpiperazin-1-yl)-2…
| 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) | 0.46 | 2.83 | -13.18 | 0 | 4 | 0 | 47 | 195.266 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.46 | 5.07 | -53.17 | 1 | 4 | 1 | 49 | 196.274 | 2 | ↓ |
