| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2008 | 22 | No |
Popular Name: 2-hydroxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide 2-hydroxy-N-(6-nitro-1,3-benzoth…
| 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) | 3.81 | 6.78 | -15.07 | 2 | 7 | 0 | 108 | 315.31 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50422-1-O | Entamoeba Histolytica (cluster #1 Of 5), Other | Other | 8021 | 0.32 | Functional ≤ 10μM |
| Z50467-2-O | Trichomonas Vaginalis (cluster #2 Of 3), Other | Other | 2147 | 0.36 | Functional ≤ 10μM |
| Z50468-2-O | Giardia Intestinalis (cluster #2 Of 4), Other | Other | 590 | 0.40 | Functional ≤ 10μM |
| Z50473-4-O | Plasmodium Berghei (cluster #4 Of 5), Other | Other | 2370 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50422 | Z50422 | Entamoeba Histolytica | 8021 | 0.32 | Functional ≤ 10μM |
| Z50468 | Z50468 | Giardia Intestinalis | 590 | 0.40 | Functional ≤ 10μM |
| Z50473 | Z50473 | Plasmodium Berghei | 2370 | 0.36 | Functional ≤ 10μM |
| Z50467 | Z50467 | Trichomonas Vaginalis | 2147 | 0.36 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.