| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 26th, 2009 | 25 | Yes |
Popular Name: 2-[(2R,5S)-2,5-dimethyl-4-(2-phenylsulfanylphenyl)piperazin-1-yl]acetic 2-[(2R,5S)-2,5-dimethyl-4-(2-phe…
| 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) | 2.84 | 10.79 | -32.01 | 1 | 4 | 0 | 48 | 356.491 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A9-1-E | Glycine Transporter 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2900 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A9_HUMAN | P48067 | Glycine Transporter 1, Human | 2900 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Na+/Cl- dependent neurotransmitter transporters |
