| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2009 | 30 | Yes |
Popular Name: 8-[(1S,2S)-2-(4-chlorophenyl)cyclohexyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one 8-[(1S,2S)-2-(4-chlorophenyl)cyc…
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| 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) | 5.63 | 10.12 | -34.81 | 2 | 4 | 1 | 37 | 424.996 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.63 | 8.52 | -8.41 | 1 | 4 | 0 | 36 | 423.988 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A5-1-E | Glycine Transporter 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5000 | 0.25 | Functional ≤ 10μM |
| SC6A9-1-E | Glycine Transporter 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 40 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A9_HUMAN | P48067 | Glycine Transporter 1, Human | 40 | 0.35 | Functional ≤ 10μM |
| SC6A5_HUMAN | Q9Y345 | Glycine Transporter 2, Human | 5000 | 0.25 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Na+/Cl- dependent neurotransmitter transporters |
