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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: [4-[(Z)-(5,7-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(5,7-dimethyl-3-oxo-benz…

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Physical Representations

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) 6.97 15.61 -15.57 0 5 0 66 490.964 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-(5,7-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(5,7-dimethyl-3-oxo-benz…

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Physical Representations

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) 7.39 16.28 -14.8 0 5 0 66 504.991 5 ↓

Analogs

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Popular Name: [4-[(Z)-(4,6-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(4,6-dimethyl-3-oxo-benz…

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Physical Representations

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) 6.97 15.6 -15.52 0 5 0 66 490.964 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-(4,6-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-methoxy-phenyl] [4-[(Z)-(4,6-dimethyl-3-oxo-benz…

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Physical Representations

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) 7.39 16.28 -14.79 0 5 0 66 504.991 5 ↓

Analogs

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Popular Name: [2-ethoxy-4-[(Z)-(3-oxobenzofuran-2-ylidene)methyl]phenyl] [2-ethoxy-4-[(Z)-(3-oxobenzofura…

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Physical Representations

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) 6.54 15.21 -15.84 0 5 0 66 476.937 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-ethoxy-4-[(Z)-(3-oxobenzofuran-2-ylidene)methyl]phenyl] [2-ethoxy-4-[(Z)-(3-oxobenzofura…

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Physical Representations

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) 6.97 15.87 -15.21 0 5 0 66 490.964 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-ethoxy-4-[(Z)-(3-oxobenzofuran-2-ylidene)methyl]phenyl] [2-ethoxy-4-[(Z)-(3-oxobenzofura…

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Physical Representations

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) 7.20 15.7 -13.14 0 5 0 66 511.382 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-ethoxy-4-[(Z)-(3-oxobenzofuran-2-ylidene)methyl]phenyl] [2-ethoxy-4-[(Z)-(3-oxobenzofura…

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Physical Representations

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) 7.17 15.54 -17.12 0 5 0 66 511.382 6 ↓

Analogs

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Popular Name: [2-ethoxy-4-[(Z)-(5-methyl-3-oxo-benzofuran-2-ylidene)methyl]phenyl] [2-ethoxy-4-[(Z)-(5-methyl-3-oxo…

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Physical Representations

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) 6.97 15.88 -15.52 0 5 0 66 490.964 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-ethoxy-4-[(Z)-(5-methyl-3-oxo-benzofuran-2-ylidene)methyl]phenyl] [2-ethoxy-4-[(Z)-(5-methyl-3-oxo…

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Physical Representations

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) 7.39 16.54 -14.96 0 5 0 66 504.991 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-(5-chloro-3-oxo-benzofuran-2-ylidene)methyl]-2-ethoxy-phenyl] [4-[(Z)-(5-chloro-3-oxo-benzofur…

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Physical Representations

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) 7.20 15.72 -14.69 0 5 0 66 511.382 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-ethoxy-4-[(Z)-(5-ethyl-3-oxo-benzofuran-2-ylidene)methyl]phenyl] [2-ethoxy-4-[(Z)-(5-ethyl-3-oxo-…

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Physical Representations

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) 7.43 16.63 -15.38 0 5 0 66 504.991 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-ethoxy-4-[(Z)-(5-ethyl-3-oxo-benzofuran-2-ylidene)methyl]phenyl] [2-ethoxy-4-[(Z)-(5-ethyl-3-oxo-…

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Physical Representations

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) 7.86 17.28 -14.77 0 5 0 66 519.018 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-(5,6-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-ethoxy-phenyl] [4-[(Z)-(5,6-dimethyl-3-oxo-benz…

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Activity (Go SEA)

Physical Representations

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) 7.34 16.41 -15.44 0 5 0 66 504.991 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-(5,6-dimethyl-3-oxo-benzofuran-2-ylidene)methyl]-2-ethoxy-phenyl] [4-[(Z)-(5,6-dimethyl-3-oxo-benz…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

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) 7.77 17.06 -14.87 0 5 0 66 519.018 6 ↓

Parameters Provided:

ring.id = 7077
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 7077 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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