In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 20 | Yes |
Popular Name: 4-[(1R)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-hydroxy-ethyl]benzonitrile 4-[(1R)-2-[cyclopropyl(2,2,2-tri…
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) | 2.20 | 6.86 | -50.42 | 2 | 3 | 1 | 48 | 285.289 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.20 | 4.84 | -7.93 | 1 | 3 | 0 | 47 | 284.281 | 6 | ↓ |