| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2010 | 17 | Yes |
Popular Name: (2S)-2-cyano-N-[(1S)-1-methyl-2-(1-piperidyl)ethyl]butanamide (2S)-2-cyano-N-[(1S)-1-methyl-2-…
| 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) | 1.72 | 6.64 | -39.12 | 2 | 4 | 1 | 57 | 238.355 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 4.63 | -27.32 | 1 | 4 | 0 | 64 | 237.347 | 5 | ↓ |
