| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2005 | 25 | No |
Popular Name: 4-(4-Methoxyphenyl)-5-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole-3-thiol 97% 4-(4-Methoxyphenyl)-5-[4-(triflu…
Find On: PubMed — Wikipedia — Google
CAS Number: 263707-22-8
| 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) | 4.57 | 8.83 | -45.64 | 0 | 5 | -1 | 49 | 366.344 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.84 | 8.99 | -12.1 | 1 | 5 | 0 | 52 | 367.352 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.