| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 24 | Yes |
Popular Name: [(2R,4R,5R)-5-[2-(4-phenylphenyl)ethynyl]quinuclidin-2-yl]methanol [(2R,4R,5R)-5-[2-(4-phenylphenyl…
| 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) | 4.32 | 10.5 | -35.42 | 2 | 2 | 1 | 25 | 318.44 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50426-8-O | Plasmodium Falciparum (isolate K1 / Thailand) (cluster #8 Of 9), Other | Other | 1400 | 0.34 | Functional ≤ 10μM |
| Z50466-1-O | Trypanosoma Cruzi (cluster #1 Of 8), Other | Other | 5800 | 0.31 | Functional ≤ 10μM |
| Z50725-1-O | Trypanosoma Brucei Rhodesiense (cluster #1 Of 7), Other | Other | 500 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 600 | 0.36 | Functional ≤ 10μM |
| Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 1200 | 0.35 | Functional ≤ 10μM |
| Z50466 | Z50466 | Trypanosoma Cruzi | 5600 | 0.31 | Functional ≤ 10μM |
