| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 25 | Yes |
| 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) | 4.63 | 1.11 | -53.82 | 1 | 3 | 0 | 44 | 375.559 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S6A11-1-E | GABA Transporter 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 87 | 0.40 | Functional ≤ 10μM |
| S6A13-1-E | GABA Transporter 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 87 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S6A13_RAT | P31646 | GABA Transporter 2, Rat | 87 | 0.40 | Functional ≤ 10μM |
| S6A11_RAT | P31647 | GABA Transporter 3, Rat | 87 | 0.40 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Na+/Cl- dependent neurotransmitter transporters | |
| Reuptake of GABA |
