In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-2-[isopropyl(2,2,2-trifluoroethyl)amino]cycloheptanecarbonitrile (1S,2R)-2-[isopropyl(2,2,2-trifl…
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) | 4.00 | 5.9 | -9.76 | 0 | 2 | 0 | 27 | 262.319 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.00 | 7.4 | -38.4 | 1 | 2 | 1 | 28 | 263.327 | 4 | ↓ |