| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 22nd, 2010 | 30 | Yes |
Popular Name: (1S,3S,4S,5R)-3,4-bis(4-fluorophenyl)-8-phenethyl-8-azabicyclo[3.2.1]octane (1S,3S,4S,5R)-3,4-bis(4-fluoroph…
| 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) | 7.12 | 16.41 | -52.01 | 1 | 1 | 1 | 4 | 404.524 | 5 | ↓ |
| Hi High (pH 8-9.5) | 7.12 | 14.2 | -5.7 | 0 | 1 | 0 | 3 | 403.516 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A3-1-E | Dopamine Transporter (cluster #1 Of 3), Eukaryotic | Eukaryotes | 26 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A3_RAT | P23977 | Dopamine Transporter, Rat | 10 | 0.37 | Binding ≤ 1μM |
| SC6A3_RAT | P23977 | Dopamine Transporter, Rat | 10 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine clearance from the synaptic cleft | |
| Na+/Cl- dependent neurotransmitter transporters |
