| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2010 | 16 | No |
Popular Name: 4-[(E)-(5-bromo-2-furyl)methyleneamino]-5-ethyl-1,2,4-triazole-3-thiol 4-[(E)-(5-bromo-2-furyl)methylen…
| 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) | 2.46 | 7.12 | -50.25 | 0 | 5 | -1 | 56 | 300.161 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.73 | 6.65 | -21.87 | 1 | 5 | 0 | 59 | 301.169 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
