In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 21 | Yes |
Popular Name: (2R)-N-[(4-cyano-2-fluoro-phenyl)methyl]-N-ethyl-piperidine-2-carboxamide (2R)-N-[(4-cyano-2-fluoro-phenyl…
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) | 1.97 | 7.83 | -40.87 | 2 | 4 | 1 | 61 | 290.362 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.97 | 6.59 | -12.62 | 1 | 4 | 0 | 56 | 289.354 | 4 | ↓ |