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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-3-methyl-4-oxo-N-phenyl-6,7-dihydro-5H-benzofuran-2-carboxamide N-(2-dimethylaminoethyl)-3-methy…

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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) 3.01 10.43 -59.56 1 5 1 55 341.431 5 ↓

Analogs

39851807
39851807

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Popular Name: N-[4-(cyanomethoxy)phenyl]-3-methyl-4-oxo-6,7-dihydro-5H-benzofuran-2-carboxamide N-[4-(cyanomethoxy)phenyl]-3-met…

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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) 2.58 7.02 -18.08 1 6 0 92 324.336 4 ↓

Analogs

39851850
39851850

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Popular Name: N-[3-(methoxymethyl)phenyl]-3-methyl-4-oxo-6,7-dihydro-5H-benzofuran-2-carboxamide N-[3-(methoxymethyl)phenyl]-3-me…

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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) 2.66 6.75 -16.27 1 5 0 69 313.353 4 ↓

Analogs

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Popular Name: 3-methyl-4-oxo-N-phenyl-6,7-dihydro-5H-benzofuran-2-carboxamide 3-methyl-4-oxo-N-phenyl-6,7-dihy…

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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) 2.73 7.02 -13.75 1 4 0 59 269.3 2 ↓

Analogs

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Popular Name: N-(4-chloro-2,5-dimethoxy-phenyl)-3-methyl-4-oxo-6,7-dihydro-5H-benzofuran-2-carboxamide N-(4-chloro-2,5-dimethoxy-phenyl…

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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) 3.38 6.27 -13.87 1 6 0 78 363.797 4 ↓

Parameters Provided:

ring.id = 282714
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 = 282714 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=282714&filter.purchasability=annotated

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