| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 25th, 2006 | 17 | Yes |
Popular Name: (5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid methyl ester (5-Phenyl-4H-[1,2,4]triazol-3-yl…
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CAS Number: 457943-71-4
| 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) | 2.29 | 6.49 | -14.79 | 1 | 5 | 0 | 68 | 249.295 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 6.33 | -43.28 | 0 | 5 | -1 | 66 | 248.287 | 5 | ↓ |
