| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2004 | 15 | Yes |
Popular Name: 5-phenyl-3-prop-2-ynylthio-1H-1,2,4-triazole 5-phenyl-3-prop-2-ynylthio-1H-1,…
Find On: PubMed — Wikipedia — Google
CAS Number: 66894-07-3
| 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) | 2.59 | 6.94 | -11.58 | 1 | 3 | 0 | 42 | 215.281 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.59 | 6.79 | -46.58 | 0 | 3 | -1 | 40 | 214.273 | 3 | ↓ |
