| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2009 | 30 | Yes |
Popular Name: 1-(4-fluorophenyl)-8-[(1S,2S)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one 1-(4-fluorophenyl)-8-[(1S,2S)-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) | 5.12 | 9.66 | -34.2 | 2 | 4 | 1 | 37 | 408.541 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.12 | 8.02 | -9.03 | 1 | 4 | 0 | 36 | 407.533 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A9-1-E | Glycine Transporter 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 24 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A9_HUMAN | P48067 | Glycine Transporter 1, Human | 24 | 0.36 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Na+/Cl- dependent neurotransmitter transporters |
