| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 25 | Yes |
Popular Name: [(1R,3S,4R,5S)-8-methyl-3-(p-tolyl)-8-azabicyclo[3.2.1]octan-4-yl]-(p-tolyl)methanone [(1R,3S,4R,5S)-8-methyl-3-(p-tol…
| 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) | 5.33 | 12.62 | -31.07 | 1 | 2 | 1 | 22 | 334.483 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.33 | 11.53 | -7.34 | 0 | 2 | 0 | 20 | 333.475 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A3-1-E | Dopamine Transporter (cluster #1 Of 3), Eukaryotic | Eukaryotes | 17 | 0.44 | Binding ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 82 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A3_RAT | P23977 | Dopamine Transporter, Rat | 17 | 0.44 | Binding ≤ 1μM |
| SC6A3_RAT | P23977 | Dopamine Transporter, Rat | 17 | 0.44 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 82 | 0.40 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine clearance from the synaptic cleft | |
| Na+/Cl- dependent neurotransmitter transporters |
