| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2010 | 30 | Yes |
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) | 1.25 | 5.12 | -77.8 | 10 | 8 | 2 | 161 | 410.522 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50339-1-O | Pneumocystis Carinii (cluster #1 Of 2), Other | Other | 1950 | 0.27 | Functional ≤ 10μM |
| Z50420-7-O | Trypanosoma Brucei Brucei (cluster #7 Of 7), Other | Other | 3 | 0.40 | Functional ≤ 10μM |
| Z50725-1-O | Trypanosoma Brucei Rhodesiense (cluster #1 Of 7), Other | Other | 1 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50339 | Z50339 | Pneumocystis Carinii | 1950 | 0.27 | Functional ≤ 10μM |
| Z50420 | Z50420 | Trypanosoma Brucei Brucei | 3 | 0.40 | Functional ≤ 10μM |
| Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 1 | 0.42 | Functional ≤ 10μM |
