| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2009 | 17 | Yes |
Popular Name: 6-Bromo-2-piperazin-1-yl-quinoline 6-Bromo-2-piperazin-1-yl-quinoline
Find On: PubMed — Wikipedia — Google
CAS Number: 124782-95-2
| 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) | 2.47 | 5.55 | -46.12 | 2 | 3 | 1 | 33 | 293.188 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.47 | 4.13 | -6.29 | 1 | 3 | 0 | 28 | 292.18 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A4-1-E | Serotonin Transporter (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1 | 0.74 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A4_RAT | P31652 | Serotonin Transporter, Rat | 0.91 | 0.74 | Binding ≤ 1μM |
| SC6A4_RAT | P31652 | Serotonin Transporter, Rat | 0.91 | 0.74 | Binding ≤ 10μM |
