| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2010 | 28 | Yes |
Popular Name: (3S,5R,8S)-3,8-bis(4-chlorophenyl)-1-pyrrolidin-1-yl-bicyclo[2.2.2]octan-5-ol (3S,5R,8S)-3,8-bis(4-chloropheny…
| 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) | 6.55 | 11.97 | -46.22 | 2 | 2 | 1 | 25 | 417.4 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 530 | 0.31 | Functional ≤ 10μM |
| Z50725-1-O | Trypanosoma Brucei Rhodesiense (cluster #1 Of 7), Other | Other | 370 | 0.32 | Functional ≤ 10μM |
| Z81135-3-O | L6 (Skeletal Muscle Myoblast Cells) (cluster #3 Of 6), Other | Other | 3590 | 0.27 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 530 | 0.31 | Functional ≤ 10μM |
| Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 370 | 0.32 | Functional ≤ 10μM |
| Z81135 | Z81135 | L6 (Skeletal Muscle Myoblast Cells) | 3590 | 0.27 | ADME/T ≤ 10μM |
