| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 1st, 2006 | 14 | Yes |
Popular Name: BRD-K96189811-001-01-8 BRD-K96189811-001-01-8
Find On: PubMed — Wikipedia — Google
CAS Number: 656-49-5
5-Chloro-2-(trifluoromethyl)-1H-benzimidazole
5-Chloro-2-(trifluoromethyl)benzimidazole
5-Chloro-2-(trifluoromethyl)benzimidazole; Benzimidazole, 5-chloro-2-(trifluoromethyl)-; LS-32804
| 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) | 3.08 | 4.81 | -5.82 | 1 | 2 | 0 | 29 | 220.581 | 1 | ↓ |
| Ref Reference (pH 7) | 3.08 | 4.8 | -4.59 | 1 | 2 | 0 | 29 | 220.581 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 4.38 | -30.99 | 0 | 2 | -1 | 27 | 219.573 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 4.36 | -31.07 | 0 | 2 | -1 | 27 | 219.573 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50422-3-O | Entamoeba Histolytica (cluster #3 Of 5), Other | Other | 22 | 0.77 | Functional ≤ 10μM |
| Z50468-2-O | Giardia Intestinalis (cluster #2 Of 4), Other | Other | 1282 | 0.59 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50422 | Z50422 | Entamoeba Histolytica | 22 | 0.77 | Functional ≤ 10μM |
| Z50468 | Z50468 | Giardia Intestinalis | 1282 | 0.59 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.