In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2010 | 24 | Yes |
Popular Name: (3S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(2-cyanoethyl)piperidine-3-carboxamide (3S)-N-[4-chloro-2-(trifluoromet…
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) | 2.88 | 9.46 | -54.54 | 2 | 4 | 1 | 57 | 360.787 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.88 | 7.22 | -9.49 | 1 | 4 | 0 | 56 | 359.779 | 5 | ↓ |