| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2011 | 18 | No |
Popular Name: 4-[2-fluoro-5-(trifluoromethyl)phenyl]-3-sulfanyl-1H-1,2,4-triazol-5-one 4-[2-fluoro-5-(trifluoromethyl)p…
| 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) | 1.77 | 5.9 | -12.65 | 2 | 4 | 0 | 54 | 279.218 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 5.87 | -37.89 | 1 | 4 | -1 | 51 | 278.21 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
