| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2006 | 25 | No |
Popular Name: 4-[1-(4-fluorophenyl)ethyl]-5-(2-quinolyl)-2H-1,2,4-triazole-3-thione 4-[1-(4-fluorophenyl)ethyl]-5-(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) | 4.51 | 11.39 | -48.2 | 0 | 4 | -1 | 44 | 349.414 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 11.44 | -12.04 | 1 | 4 | 0 | 47 | 350.422 | 3 | ↓ |
