| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2008 | 13 | No |
Popular Name: 5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol 5-(4-fluorophenyl)-4H-1,2,4-tria…
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 114058-91-2 , [114058-91-2]
| 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) | 2.38 | 5.27 | -41.45 | 1 | 3 | -1 | 42 | 194.214 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.38 | 5.38 | -25.8 | 2 | 3 | 0 | 43 | 195.222 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.