| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 25th, 2010 | 15 | Yes |
Popular Name: 3-[(5-bromo-3-thienyl)methylsulfanyl]-5-ethyl-4H-1,2,4-triazole 3-[(5-bromo-3-thienyl)methylsulf…
| 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) | 3.09 | 6.74 | -5.92 | 1 | 3 | 0 | 42 | 304.238 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.09 | 6.55 | -39.78 | 0 | 3 | -1 | 40 | 303.23 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
