| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 24th, 2011 | 13 | No |
Popular Name: 3-sulfanyl-4-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-5-one 3-sulfanyl-4-(3,3,3-trifluoropro…
| 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) | 0.29 | 3.38 | -10.31 | 2 | 4 | 0 | 54 | 213.184 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.01 | 3.32 | -30.21 | 1 | 4 | -1 | 51 | 212.176 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
