In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2010 | 21 | Yes |
Popular Name: (1R,2R,4R)-2-[(3S)-3-hydroxy-1-piperidyl]-4-phenyl-cyclohexanecarbonitrile (1R,2R,4R)-2-[(3S)-3-hydroxy-1-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) | 2.98 | 7.78 | -41.63 | 2 | 3 | 1 | 48 | 285.411 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.