| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2011 | 21 | No |
Popular Name: [(1S,3R,4R,5R)-4-[(E)-2-chlorovinyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] [(1S,3R,4R,5R)-4-[(E)-2-chlorovi…
| 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) | 3.79 | 10.97 | -37.9 | 1 | 3 | 1 | 31 | 306.813 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.79 | 9.02 | -5.58 | 0 | 3 | 0 | 30 | 305.805 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A3-2-E | Dopamine Transporter (cluster #2 Of 3), Eukaryotic | Eukaryotes | 222 | 0.44 | Binding ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 368 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A3_RAT | P23977 | Dopamine Transporter, Rat | 222 | 0.44 | Binding ≤ 1μM |
| SC6A3_RAT | P23977 | Dopamine Transporter, Rat | 222 | 0.44 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 368 | 0.43 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine clearance from the synaptic cleft | |
| Na+/Cl- dependent neurotransmitter transporters |
