In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 26 | Yes |
Popular Name: 2-[(2R,5R)-4-[2-(4-hydroxyphenyl)sulfanylphenyl]-2,5-dimethyl-piperazin-1-yl]acetic 2-[(2R,5R)-4-[2-(4-hydroxyphenyl…
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) | 2.36 | 10.09 | -31.67 | 2 | 5 | 0 | 68 | 372.49 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.36 | 8.07 | -48.25 | 1 | 5 | -1 | 67 | 371.482 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
SC6A9-1-E | Glycine Transporter 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3600 | 0.29 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
SC6A9_HUMAN | P48067 | Glycine Transporter 1, Human | 3600 | 0.29 | Binding ≤ 10μM |
Description | Species |
---|---|
Na+/Cl- dependent neurotransmitter transporters |