| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 16 | Yes |
Popular Name: (2S)-3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methyl-propanenitrile (2S)-3-[4-(cyclopropanecarbonyl)…
| 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) | 0.96 | 4.89 | -12.53 | 0 | 4 | 0 | 47 | 221.304 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.96 | 6.88 | -57.97 | 1 | 4 | 1 | 49 | 222.312 | 3 | ↓ |
