In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2010 | 26 | Yes |
Popular Name: 2-[2-oxo-3-(trifluoromethyl)-1-pyridyl]-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]acetamide 2-[2-oxo-3-(trifluoromethyl)-1-p…
None
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) | 0.90 | 6.98 | -22.8 | 2 | 8 | 0 | 109 | 364.287 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.91 | 6.17 | -62.68 | 1 | 8 | -1 | 112 | 363.279 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.