| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 20 | Yes |
Popular Name: (2S)-N-(2-cyano-3-fluoro-phenyl)-2-piperazin-1-yl-propanamide (2S)-N-(2-cyano-3-fluoro-phenyl)…
| 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) | 0.60 | 3.07 | -44.99 | 3 | 5 | 1 | 73 | 277.323 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.60 | 1.73 | -7.79 | 2 | 5 | 0 | 68 | 276.315 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.60 | 3.99 | -37.32 | 3 | 5 | 1 | 69 | 277.323 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.60 | 5.33 | -118.84 | 4 | 5 | 2 | 74 | 278.331 | 3 | ↓ |
