| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 28th, 2006 | 37 | Yes |
Popular Name: (S)-SNAP5114 (S)-SNAP5114
Find On: PubMed — Wikipedia — Google
CAS Number: 157604-55-2
| 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) | 5.36 | 13.16 | -52.85 | 1 | 7 | 0 | 82 | 505.611 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S6A11-1-E | GABA Transporter 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.19 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S6A11_HUMAN | P48066 | GABA Transporter 3, Human | 10000 | 0.19 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Creatine metabolism | |
| Na+/Cl- dependent neurotransmitter transporters | |
| Reuptake of GABA |
