In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 20 | Yes |
Popular Name: (1S,2R,4S)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propyl-cyclohexanecarbonitrile (1S,2R,4S)-2-[cyclopropyl(2,2,2-…
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) | 4.44 | 7.51 | -5.43 | 0 | 2 | 0 | 27 | 288.357 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.44 | 9.3 | -36.97 | 1 | 2 | 1 | 28 | 289.365 | 6 | ↓ |