| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 18 | Yes |
Popular Name: (2S)-3-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-methyl-propanenitrile (2S)-3-[4-(2-ethylbutanoyl)piper…
| 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) | 2.21 | 5.74 | -11.35 | 0 | 4 | 0 | 47 | 251.374 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.21 | 7.76 | -58.45 | 1 | 4 | 1 | 49 | 252.382 | 5 | ↓ |
