| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2010 | 24 | Yes |
Popular Name: (6S,9R)-N,N-dimethyl-6,9-diphenyl-4-azabicyclo[3.2.2]nonan-1-amine (6S,9R)-N,N-dimethyl-6,9-dipheny…
| 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) | 4.84 | 9.96 | -114.81 | 3 | 2 | 2 | 21 | 322.496 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.84 | 8.58 | -40.06 | 2 | 2 | 1 | 16 | 321.488 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.84 | 7.66 | -46.59 | 2 | 2 | 1 | 20 | 321.488 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 280 | 0.38 | Functional ≤ 10μM |
| Z50426-1-O | Plasmodium Falciparum (isolate K1 / Thailand) (cluster #1 Of 9), Other | Other | 280 | 0.38 | Functional ≤ 10μM |
| Z50725-1-O | Trypanosoma Brucei Rhodesiense (cluster #1 Of 7), Other | Other | 600 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 280 | 0.38 | Functional ≤ 10μM |
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 280 | 0.38 | Functional ≤ 10μM |
| Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 600 | 0.36 | Functional ≤ 10μM |
