| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2010 | 21 | Yes |
Popular Name: (2S)-2-benzyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxo-propanenitrile (2S)-2-benzyl-3-[4-(2-hydroxyeth…
| 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) | 0.88 | 2.99 | -9.42 | 1 | 5 | 0 | 68 | 287.363 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.88 | 5.29 | -40.86 | 2 | 5 | 1 | 69 | 288.371 | 5 | ↓ |
