| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 14th, 2008 | 22 | No |
None
| 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) | 3.29 | 2.4 | -11.81 | 2 | 5 | 0 | 76 | 300.31 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50457-1-O | Leishmania Amazonensis (cluster #1 Of 3), Other | Other | 10000 | 0.32 | Functional ≤ 10μM |
| Z50458-4-O | Leishmania Braziliensis (cluster #4 Of 4), Other | Other | 7600 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50457 | Z50457 | Leishmania Amazonensis | 10000 | 0.32 | Functional ≤ 10μM |
| Z50458 | Z50458 | Leishmania Braziliensis | 7600 | 0.33 | Functional ≤ 10μM |
