In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 17 | Yes |
Popular Name: (3S)-1-[(1R,2R)-2-cyanocyclohexyl]piperidine-3-carboxamide (3S)-1-[(1R,2R)-2-cyanocyclohexy…
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) | 1.40 | 4.33 | -40.49 | 3 | 4 | 1 | 71 | 236.339 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.40 | 2.43 | -10.38 | 2 | 4 | 0 | 70 | 235.331 | 2 | ↓ |