In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2010 | 18 | Yes |
Popular Name: N-(6-oxo-1-propyl-3-pyridyl)-1H-triazole-4-carboxamide N-(6-oxo-1-propyl-3-pyridyl)-1H-…
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) | 0.46 | 2.03 | -14.22 | 2 | 7 | 0 | 93 | 247.258 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.46 | 2.01 | -37.79 | 1 | 7 | -1 | 91 | 246.25 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.