| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 19 | No |
2-(2-nitroimidazolyl)-N-benzylacetamide
2-Nitro-N-(phenylmethyl)-1H-imidazole-1-acetamide
N-Benzyl-2-nitro-1H-imidazol-1-acetamid
N-Benzyl-2-nitro-Imidazole-1-acetamide
| 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) | 0.78 | 8.49 | -18.62 | 1 | 7 | 0 | 93 | 260.253 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.78 | 8.96 | -41.98 | 2 | 7 | 1 | 94 | 261.261 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50422-1-O | Entamoeba Histolytica (cluster #1 Of 5), Other | Other | 4270 | 0.40 | Functional ≤ 10μM |
| Z50466-1-O | Trypanosoma Cruzi (cluster #1 Of 8), Other | Other | 8970 | 0.37 | Functional ≤ 10μM |
| Z50473-1-O | Plasmodium Berghei (cluster #1 Of 5), Other | Other | 4070 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50422 | Z50422 | Entamoeba Histolytica | 4270 | 0.40 | Functional ≤ 10μM |
| Z50473 | Z50473 | Plasmodium Berghei | 4070 | 0.40 | Functional ≤ 10μM |
| Z50466 | Z50466 | Trypanosoma Cruzi | 1.8 | 0.64 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.