| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 18 | Yes |
Popular Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-1H-triazole-4-carboxamide N-[5-(1-ethylpropyl)-1,3,4-thiad…
| 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) | 1.09 | 2.61 | -11.91 | 2 | 7 | 0 | 96 | 266.33 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.16 | 0.74 | -112.65 | 0 | 7 | -2 | 101 | 264.314 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.09 | 2.61 | -39.67 | 1 | 7 | -1 | 95 | 265.322 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
