| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 22 | 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) | 1.03 | 3.36 | -113.42 | 6 | 4 | 2 | 57 | 300.45 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.03 | 2.08 | -42.39 | 5 | 4 | 1 | 53 | 299.442 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.03 | 2.29 | -40.26 | 5 | 4 | 1 | 53 | 299.442 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50418-5-O | Trypanosoma Brucei (cluster #5 Of 6), Other | Other | 6900 | 0.33 | Functional ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 1700 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 1700 | 0.37 | Functional ≤ 10μM |
| Z50418 | Z50418 | Trypanosoma Brucei | 6900 | 0.33 | Functional ≤ 10μM |
