In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 17 | Yes |
Popular Name: 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole 5-fluoro-3-(1-methyl-3,6-dihydro…
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CAS Number: 116480-54-7
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) | 1.65 | 8.43 | -38.37 | 2 | 2 | 1 | 20 | 231.294 | 1 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
SC6A4-1-E | Serotonin Transporter (cluster #1 Of 4), Eukaryotic | Eukaryotes | 160 | 0.56 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 160 | 0.56 | Binding ≤ 1μM |
SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 160 | 0.56 | Binding ≤ 10μM |