| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2006 | 18 | Yes |
Popular Name: 3-[[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile 3-[[5-(4-methoxyphenyl)-4H-1,2,4…
| 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) | 1.94 | 6.31 | -13.11 | 1 | 5 | 0 | 75 | 260.322 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 6.11 | -44.84 | 0 | 5 | -1 | 73 | 259.314 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 6.22 | -12.66 | 1 | 5 | 0 | 75 | 260.322 | 5 | ↓ |
