| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2010 | 31 | Yes |
Popular Name: 2-[2-[(2S,6R)-1-methyl-6-[2-(2-quinolyl)ethyl]-2-piperidyl]ethyl]quinoline 2-[2-[(2S,6R)-1-methyl-6-[2-(2-q…
| 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) | 5.53 | 15.21 | -39.26 | 1 | 3 | 1 | 30 | 410.585 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.53 | 15.85 | -157.99 | 3 | 3 | 3 | 33 | 412.601 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.53 | 15.52 | -92.04 | 2 | 3 | 2 | 31 | 411.593 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| VMAT2-1-E | Synaptic Vesicular Amine Transporter (cluster #1 Of 2), Eukaryotic | Eukaryotes | 960 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| VMAT2_RAT | Q01827 | Synaptic Vesicular Amine Transporter, Rat | 67 | 0.32 | Binding ≤ 1μM |
| VMAT2_RAT | Q01827 | Synaptic Vesicular Amine Transporter, Rat | 67 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine Neurotransmitter Release Cycle | |
| Na+/Cl- dependent neurotransmitter transporters | |
| Norepinephrine Neurotransmitter Release Cycle | |
| Serotonin Neurotransmitter Release Cycle |
