| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 15 | Yes |
Popular Name: 5-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzonitrile 5-chloro-2-(1H-1,2,4-triazol-5-y…
| 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) | 2.20 | 6.61 | -8.87 | 1 | 4 | 0 | 65 | 236.687 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.20 | 6.41 | -41.42 | 0 | 4 | -1 | 64 | 235.679 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
