| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2010 | 18 | Yes |
Popular Name: (2S)-2-cyano-3-methyl-N-[(1R)-1-methyl-2-(1-piperidyl)ethyl]butanamide (2S)-2-cyano-3-methyl-N-[(1R)-1-…
| 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) | 2.72 | 7.17 | -43.37 | 2 | 4 | 1 | 57 | 252.382 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.91 | 5.24 | -22.06 | 1 | 4 | 0 | 64 | 251.374 | 5 | ↓ |
