| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 15th, 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) | 5.40 | -0.23 | -10.61 | 1 | 4 | 0 | 50 | 350.491 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50457-1-O | Leishmania Amazonensis (cluster #1 Of 3), Other | Other | 3600 | 0.30 | Functional ≤ 10μM |
| Z50466-1-O | Trypanosoma Cruzi (cluster #1 Of 8), Other | Other | 5200 | 0.30 | Functional ≤ 10μM |
| Z80583-1-O | Vero (Kidney Cells) (cluster #1 Of 3), Other | Other | 2900 | 0.31 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50457 | Z50457 | Leishmania Amazonensis | 3600 | 0.30 | Functional ≤ 10μM |
| Z50466 | Z50466 | Trypanosoma Cruzi | 5200 | 0.30 | Functional ≤ 10μM |
| Z80583 | Z80583 | Vero (Kidney Cells) | 2900 | 0.31 | ADME/T ≤ 10μM |
