| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2011 | 17 | Yes |
Popular Name: N-(5-isopropyl-4H-1,2,4-triazol-3-yl)pyridine-3-carboxamide N-(5-isopropyl-4H-1,2,4-triazol-…
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) | 0.51 | 5.36 | -8.89 | 2 | 6 | 0 | 84 | 231.259 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.51 | 5.18 | -49.47 | 1 | 6 | -1 | 82 | 230.251 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.58 | 3.86 | -45.63 | 1 | 6 | -1 | 90 | 230.251 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
