| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 27 | Yes |
Popular Name: 4-hydroxy-3-(methoxymethyl)-5-(3-phenoxyphenyl)-7H-thieno[3,2-e]pyridin-6-one 4-hydroxy-3-(methoxymethyl)-5-(3…
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) | 4.71 | 7.31 | -47.33 | 1 | 5 | -1 | 74 | 378.429 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302-1-O | Glutamate NMDA Receptor (cluster #1 Of 7), Other | Other | 36 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302 | Z104302 | Glutamate NMDA Receptor | 36 | 0.39 | Binding ≤ 1μM |
| Z104302 | Z104302 | Glutamate NMDA Receptor | 36 | 0.39 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
![7H-thieno[2,3-b]pyridin-6-one](http://zinc12.docking.org/img/rings/116868.gif)
![5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one](http://zinc12.docking.org/img/rings/224591.gif)