In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 18 | Yes |
Popular Name: (1S,2R,4R)-4-ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexanecarbonitrile (1S,2R,4R)-4-ethyl-2-[ethyl(2,2,…
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) | 3.89 | 5.91 | -7.98 | 0 | 2 | 0 | 27 | 262.319 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.89 | 8.49 | -45.58 | 1 | 2 | 1 | 28 | 263.327 | 5 | ↓ |