| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 26th, 2005 | 19 | Yes |
Popular Name: 3-(2-propynylsulfanyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole 3-(2-propynylsulfanyl)-5-[4-(tri…
| 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) | 3.48 | 7.94 | -10.15 | 1 | 3 | 0 | 42 | 283.278 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.48 | 7.79 | -39.97 | 0 | 3 | -1 | 40 | 282.27 | 4 | ↓ |
