| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 16 | Yes |
Popular Name: 7-Trifluoromethyl-1,4-dihydro-pyrido[2,3-b]pyrazine-2,3-dione 7-Trifluoromethyl-1,4-dihydro-py…
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CAS Number: 168123-87-3
| 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) | 0.62 | -1.68 | -49.73 | 1 | 5 | -1 | 82 | 230.125 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | -1.65 | -44.99 | 1 | 5 | -1 | 82 | 230.125 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.16 | 1.87 | -48.25 | 3 | 5 | 1 | 80 | 232.141 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302-4-O | Glutamate NMDA Receptor (cluster #4 Of 7), Other | Other | 1900 | 0.50 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302 | Z104302 | Glutamate NMDA Receptor | 1900 | 0.50 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.