| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2006 | 25 | No |
| 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) | 3.37 | 10.29 | -18.57 | 1 | 8 | 0 | 114 | 357.347 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50422-1-O | Entamoeba Histolytica (cluster #1 Of 5), Other | Other | 3515 | 0.31 | Functional ≤ 10μM |
| Z50461-2-O | Leishmania Mexicana (cluster #2 Of 3), Other | Other | 1350 | 0.33 | Functional ≤ 10μM |
| Z50466-7-O | Trypanosoma Cruzi (cluster #7 Of 8), Other | Other | 4890 | 0.30 | Functional ≤ 10μM |
| Z50467-2-O | Trichomonas Vaginalis (cluster #2 Of 3), Other | Other | 842 | 0.34 | Functional ≤ 10μM |
| Z50468-2-O | Giardia Intestinalis (cluster #2 Of 4), Other | Other | 297 | 0.37 | Functional ≤ 10μM |
| Z50473-4-O | Plasmodium Berghei (cluster #4 Of 5), Other | Other | 2420 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50422 | Z50422 | Entamoeba Histolytica | 3515 | 0.31 | Functional ≤ 10μM |
| Z50468 | Z50468 | Giardia Intestinalis | 297 | 0.37 | Functional ≤ 10μM |
| Z50461 | Z50461 | Leishmania Mexicana | 1350 | 0.33 | Functional ≤ 10μM |
| Z50473 | Z50473 | Plasmodium Berghei | 2420 | 0.31 | Functional ≤ 10μM |
| Z50467 | Z50467 | Trichomonas Vaginalis | 842 | 0.34 | Functional ≤ 10μM |
| Z50466 | Z50466 | Trypanosoma Cruzi | 4890 | 0.30 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.