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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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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) 4.40 13.17 -15.07 0 6 0 79 416.429 6 ↓

Analogs

6624009
6624009
6624044
6624044
6192665
6192665

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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) 4.40 13.17 -15 0 6 0 79 416.429 6 ↓

Analogs

6192665
6192665
2107715
2107715

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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) 3.97 12.78 -15.23 0 6 0 79 402.402 7 ↓

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) 4.40 13.45 -14.88 0 6 0 79 416.429 7 ↓

Analogs

16742201
16742201
16742202
16742202

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) 4.63 13.29 -14.03 0 6 0 79 436.847 7 ↓

Analogs

6192665
6192665

Draw Identity 99% 90% 80% 70%

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

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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) 4.76 13.4 -13.93 0 6 0 79 481.298 7 ↓

Analogs

6192665
6192665
5437294
5437294

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) 4.86 14.2 -14.78 0 6 0 79 430.456 8 ↓

Analogs

16742201
16742201
16742202
16742202

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-(5-chloro-6-methyl-3-oxo-benzofuran-2-ylidene)methyl]-2-ethoxy-phenyl] [4-[(Z)-(5-chloro-6-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) 5.00 13.87 -13.85 0 6 0 79 450.874 7 ↓

Parameters Provided:

ring.id = 7108
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 = 7108 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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