| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 22nd, 2010 | 18 | Yes |
Popular Name: (1R,3R)-3-(5-fluoro-1H-indol-3-yl)-N,N-dimethyl-cyclopentanamine (1R,3R)-3-(5-fluoro-1H-indol-3-y…
| 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) | 1.92 | 8.96 | -38.68 | 2 | 2 | 1 | 20 | 247.337 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A4-1-E | Serotonin Transporter (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2 | 0.68 | Binding ≤ 10μM |
| SC6A4-1-E | Serotonin Transporter (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3 | 0.66 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 2.8 | 0.67 | Binding ≤ 1μM |
| SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 2.8 | 0.67 | Binding ≤ 10μM |
