| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 26th, 2011 | 18 | No |
Popular Name: 2-hydroxy-5-nitro-N-(4H-1,2,4-triazol-3-yl)pyridine-3-carboxamide 2-hydroxy-5-nitro-N-(4H-1,2,4-tr…
| 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) | -0.92 | 4.12 | -23.28 | 3 | 10 | 0 | 149 | 250.174 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.46 | 3.33 | -49.93 | 2 | 10 | -1 | 152 | 249.166 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.46 | 3.15 | -99.89 | 1 | 10 | -2 | 151 | 248.158 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.92 | 3.92 | -58.82 | 2 | 10 | -1 | 148 | 249.166 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
