| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 24th, 2011 | 18 | No |
Popular Name: 5-(2-pyridyl)-4-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-thiol 5-(2-pyridyl)-4-(3,3,3-trifluoro…
| 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) | 2.34 | 7.67 | -43.97 | 0 | 4 | -1 | 44 | 273.263 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.61 | 7.62 | -10.25 | 1 | 4 | 0 | 47 | 274.271 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
