| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 14th, 2007 | 12 | Yes |
Popular Name: 6-Chloro-2-(methylthio)-1h-benzo[d]imidazole 6-Chloro-2-(methylthio)-1h-benzo…
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CAS Number: 7692-57-1
| 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) | 3.00 | 4.9 | -6.15 | 1 | 2 | 0 | 29 | 198.678 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 3.00 | 5.26 | -26.82 | 2 | 2 | 1 | 30 | 199.686 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50422-3-O | Entamoeba Histolytica (cluster #3 Of 5), Other | Other | 192 | 0.78 | Functional ≤ 10μM |
| Z50468-2-O | Giardia Intestinalis (cluster #2 Of 4), Other | Other | 5 | 0.97 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50422 | Z50422 | Entamoeba Histolytica | 192 | 0.78 | Functional ≤ 10μM |
| Z50468 | Z50468 | Giardia Intestinalis | 5 | 0.97 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.