UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)-N-(2,4,6-trichlorophenyl)acetamide 2-(5-oxo-3-phenyl-1,2,4-oxadiazo…

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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) 4.02 9.62 -14.46 1 6 0 77 398.633 4 ↓

Analogs

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Popular Name: 2-[3-(4-nitrophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]-N-phenyl-acetamide 2-[3-(4-nitrophenyl)-5-oxo-1,2,4…

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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) 2.08 8.78 -19.31 1 9 0 123 340.295 5 ↓

Analogs

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Popular Name: N-(3-acetamidophenyl)-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide N-(3-acetamidophenyl)-2-(5-oxo-3…

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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) 1.32 6.94 -21.23 2 8 0 106 352.35 5 ↓

Parameters Provided:

ring.id = 178407
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 = 178407 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=178407&filter.purchasability=annotated

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