In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2010 | 19 | No |
Popular Name: 2-(cyanomethylsulfanyl)-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]acetamide 2-(cyanomethylsulfanyl)-N-[5-(2-…
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) | 0.36 | 4.73 | -54.05 | 1 | 7 | -1 | 114 | 273.301 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.17 | 6 | -23.92 | 2 | 7 | 0 | 107 | 274.309 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.