| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2010 | 36 | Yes |
| 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) | 5.84 | 15.3 | -46.74 | 2 | 5 | 1 | 53 | 518.468 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.84 | 15.27 | -14.23 | 1 | 5 | 0 | 52 | 517.46 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 5.84 | 16.06 | -124.65 | 3 | 5 | 2 | 58 | 519.476 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50466-2-O | Trypanosoma Cruzi (cluster #2 Of 8), Other | Other | 5 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50466 | Z50466 | Trypanosoma Cruzi | 5 | 0.32 | Functional ≤ 10μM |
