| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2008 | 15 | Yes |
Popular Name: (5-Furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid (5-Furan-2-yl-4H-[1,2,4]triazol-…
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CAS Number: 30452-55-2
(5-Furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-
| 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) | 0.81 | 4.45 | -44.33 | 1 | 6 | -1 | 95 | 224.221 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.81 | 4.25 | -103.07 | 0 | 6 | -2 | 93 | 223.213 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.