| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2009 | 15 | Yes |
Popular Name: 5,6-Dichloro-2-(trifluoromethyl)-1H-benzimidazole 5,6-Dichloro-2-(trifluoromethyl)…
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CAS Number: 2338-25-2
| 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) | 3.69 | 5.24 | -6.23 | 1 | 2 | 0 | 29 | 255.026 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50422-3-O | Entamoeba Histolytica (cluster #3 Of 5), Other | Other | 11 | 0.74 | Functional ≤ 10μM |
| Z50467-2-O | Trichomonas Vaginalis (cluster #2 Of 3), Other | Other | 235 | 0.62 | Functional ≤ 10μM |
| Z50468-2-O | Giardia Intestinalis (cluster #2 Of 4), Other | Other | 78 | 0.66 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50422 | Z50422 | Entamoeba Histolytica | 11 | 0.74 | Functional ≤ 10μM |
| Z50468 | Z50468 | Giardia Intestinalis | 78 | 0.66 | Functional ≤ 10μM |
| Z50467 | Z50467 | Trichomonas Vaginalis | 235 | 0.62 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.