| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 16 | Yes |
Popular Name: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-1H-triazole-4-carboxamide N-(5-isopropyl-1,3,4-thiadiazol-…
| 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) | 0.40 | 1.33 | -12.16 | 2 | 7 | 0 | 96 | 238.276 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.47 | -0.55 | -109.67 | 0 | 7 | -2 | 101 | 236.26 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 1.31 | -38.97 | 1 | 7 | -1 | 95 | 237.268 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
