| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 19 | Yes |
Popular Name: (1S,2S)-2-[(1-methylsulfonyl-4-piperidyl)amino]cyclohexanecarbonitrile (1S,2S)-2-[(1-methylsulfonyl-4-p…
| 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) | 1.45 | 3.7 | -54.22 | 2 | 5 | 1 | 78 | 286.421 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.45 | 2.86 | -16.7 | 1 | 5 | 0 | 73 | 285.413 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
