| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 17 | Yes |
Popular Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-1H-triazole-4-carboxamide N-(5-isobutyl-1,3,4-thiadiazol-2…
| 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) | 0.66 | 1.98 | -12.15 | 2 | 7 | 0 | 96 | 252.303 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.73 | 0.09 | -110.14 | 0 | 7 | -2 | 101 | 250.287 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.66 | 1.96 | -39.01 | 1 | 7 | -1 | 95 | 251.295 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
