| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 33 | Yes |
Popular Name: (3S)-1-[2-[(4-methoxyphenyl)-diphenyl-methoxy]ethyl]piperidine-3-carboxylic (3S)-1-[2-[(4-methoxyphenyl)-dip…
| 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) | 5.24 | 13.93 | -56.32 | 1 | 5 | 0 | 63 | 445.559 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A1-1-E | GABA Transporter 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6900 | 0.22 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A1_HUMAN | P30531 | GABA Transporter 1, Human | 6900 | 0.22 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Na+/Cl- dependent neurotransmitter transporters | |
| Reuptake of GABA |
