| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 19 | Yes |
None
| 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) | -0.99 | 4.11 | -40.71 | 3 | 7 | 0 | 111 | 265.317 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.99 | 4.12 | -73.69 | 2 | 7 | -1 | 110 | 264.309 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.99 | 4.12 | -38.85 | 3 | 7 | 0 | 111 | 265.317 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302-3-O | Glutamate NMDA Receptor (cluster #3 Of 7), Other | Other | 940 | 0.44 | Binding ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 820 | 0.45 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302 | Z104302 | Glutamate NMDA Receptor | 420 | 0.47 | Binding ≤ 1μM |
| Z104302 | Z104302 | Glutamate NMDA Receptor | 3320 | 0.40 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 1390 | 0.43 | Functional ≤ 10μM |
