| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2010 | 15 | Yes |
Popular Name: (2S)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3-oxo-propanenitrile (2S)-3-[4-(2-hydroxyethyl)pipera…
| 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) | -0.55 | -0.46 | -10.89 | 1 | 5 | 0 | 68 | 211.265 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.55 | 1.83 | -43.54 | 2 | 5 | 1 | 69 | 212.273 | 3 | ↓ |
