| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 14 | Yes |
Popular Name: N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide N-(5-methyl-1H-1,2,4-triazol-3-y…
| 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) | 0.59 | 4.87 | -49.34 | 1 | 5 | -1 | 69 | 207.238 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.66 | 3.33 | -45.72 | 1 | 5 | -1 | 77 | 207.238 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.59 | 5.01 | -14.04 | 2 | 5 | 0 | 71 | 208.246 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
