In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 21 | Yes |
Popular Name: 4-[ethyl(2,2,2-trifluoroethyl)amino]quinoline-3-carboxylic 4-[ethyl(2,2,2-trifluoroethyl)am…
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) | 3.13 | 9.02 | -32.25 | 1 | 4 | 0 | 58 | 298.264 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.13 | 8.6 | -42.76 | 0 | 4 | -1 | 56 | 297.256 | 5 | ↓ |