In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 17 | Yes |
Popular Name: (1S,2R)-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexanecarbonitrile (1S,2R)-2-[propyl(2,2,2-trifluor…
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) | 3.70 | 5.74 | -5.37 | 0 | 2 | 0 | 27 | 248.292 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.70 | 7.95 | -44.66 | 1 | 2 | 1 | 28 | 249.3 | 5 | ↓ |