| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2006 | 23 | Yes |
Popular Name: 4-[[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile 4-[[5-(2-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) | 3.78 | 9.57 | -17.38 | 1 | 5 | 0 | 75 | 322.393 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.78 | 9.41 | -49.15 | 0 | 5 | -1 | 73 | 321.385 | 5 | ↓ |
