| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 16 | Yes |
Popular Name: (1R,2S)-2-[(1-methyl-4-piperidyl)amino]cyclohexanecarbonitrile (1R,2S)-2-[(1-methyl-4-piperidyl…
| 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) | 2.07 | 5.95 | -39.94 | 2 | 3 | 1 | 40 | 222.356 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.07 | 6.87 | -112.66 | 3 | 3 | 2 | 45 | 223.364 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
