| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 28 | Yes |
Popular Name: N-[[4-(azetidin-1-yl)-1-propylsulfonyl-4-piperidyl]methyl]-2,4-dichloro-benzamide N-[[4-(azetidin-1-yl)-1-propylsu…
| 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) | 3.32 | 7.31 | -53.72 | 2 | 6 | 1 | 71 | 449.424 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.32 | 4.49 | -12.67 | 1 | 6 | 0 | 70 | 448.416 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A9-1-E | Glycine Transporter 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 38 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A9_HUMAN | P48067 | Glycine Transporter 1, Human | 38.1 | 0.37 | Binding ≤ 1μM |
| SC6A9_HUMAN | P48067 | Glycine Transporter 1, Human | 38.1 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Na+/Cl- dependent neurotransmitter transporters |
