| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2006 | 15 | Yes |
Popular Name: 3-(allylthio)-5-phenyl-4H-1,2,4-triazole 3-(allylthio)-5-phenyl-4H-1,2,4-…
Find On: PubMed — Wikipedia — Google
CAS Number: 77086-31-8
| 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) | 3.07 | 7.04 | -6.59 | 1 | 3 | 0 | 42 | 217.297 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.07 | 6.85 | -45.52 | 0 | 3 | -1 | 40 | 216.289 | 4 | ↓ |
