| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2005 | 25 | No |
Popular Name: (E)-4,6-Dichloro-3-(2-phenyl-2-carboxyethenyl)indole-2-carboxylic acid (E)-4,6-Dichloro-3-(2-phenyl-2-c…
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CAS Number: [161230-88-2]
| 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) | 4.29 | 11.02 | -120.79 | 1 | 5 | -2 | 96 | 374.179 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302-1-O | Glutamate NMDA Receptor (cluster #1 Of 7), Other | Other | 11 | 0.45 | Binding ≤ 10μM |
| Z104302-3-O | Glutamate NMDA Receptor (cluster #3 Of 3), Other | Other | 11 | 0.45 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 282 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302 | Z104302 | Glutamate NMDA Receptor | 10.9 | 0.45 | Binding ≤ 1μM |
| Z104302 | Z104302 | Glutamate NMDA Receptor | 10.9 | 0.45 | Binding ≤ 10μM |
| Z104302 | Z104302 | Glutamate NMDA Receptor | 11 | 0.45 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 282 | 0.37 | Functional ≤ 10μM |
