| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 26 | Yes |
Popular Name: (6S,9S)-6,9-bis(4-bromophenyl)-N,N-dimethyl-4-azabicyclo[3.2.2]nonan-1-amine (6S,9S)-6,9-bis(4-bromophenyl)-N…
| 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) | 6.46 | 12.29 | -121.91 | 3 | 2 | 2 | 21 | 480.288 | 3 | ↓ |
| Mid Mid (pH 6-8) | 6.46 | 10.92 | -45.93 | 2 | 2 | 1 | 16 | 479.28 | 3 | ↓ |
| Mid Mid (pH 6-8) | 6.46 | 10.05 | -45.81 | 2 | 2 | 1 | 20 | 479.28 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 340 | 0.35 | Functional ≤ 10μM |
| Z50725-1-O | Trypanosoma Brucei Rhodesiense (cluster #1 Of 7), Other | Other | 87 | 0.38 | Functional ≤ 10μM |
| Z81135-3-O | L6 (Skeletal Muscle Myoblast Cells) (cluster #3 Of 6), Other | Other | 9030 | 0.27 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 340 | 0.35 | Functional ≤ 10μM |
| Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 87 | 0.38 | Functional ≤ 10μM |
| Z81135 | Z81135 | L6 (Skeletal Muscle Myoblast Cells) | 9030 | 0.27 | ADME/T ≤ 10μM |
