| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 18 | Yes |
Popular Name: (1R,2S)-2-[(1-ethyl-4-piperidyl)methylamino]cyclohexanecarbonitrile (1R,2S)-2-[(1-ethyl-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) | 2.83 | 8.47 | -103.67 | 3 | 3 | 2 | 45 | 251.418 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.83 | 7.38 | -35.48 | 2 | 3 | 1 | 40 | 250.41 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
