| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 24 | Yes |
Popular Name: (2S)-3-[[2-(4-methoxyphenyl)-4-quinolyl]amino]propane-1,2-diol (2S)-3-[[2-(4-methoxyphenyl)-4-q…
| 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) | 2.70 | 2.17 | -31.28 | 4 | 5 | 1 | 76 | 325.388 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302-7-O | Glutamate NMDA Receptor (cluster #7 Of 7), Other | Other | 19 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302 | Z104302 | Glutamate NMDA Receptor | 19 | 0.45 | Binding ≤ 1μM |
| Z104302 | Z104302 | Glutamate NMDA Receptor | 19 | 0.45 | Binding ≤ 10μM |
