UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36617430
36617430
36617470
36617470
36617498
36617498
36617501
36617501
36617503
36617503

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Popular Name: 6-(2,4-dichlorophenyl)-3-phenyl-isoxazolo[5,4-b]pyridine-4-carboxylic 6-(2,4-dichlorophenyl)-3-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) 5.18 9.21 -41.31 0 5 -1 79 384.198 3 ↓

Analogs

36617337
36617337
36617500
36617500
36617502
36617502

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Popular Name: 6-[3-(difluoromethoxy)phenyl]-3-phenyl-isoxazolo[5,4-b]pyridine-4-carboxylic 6-[3-(difluoromethoxy)phenyl]-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) 4.48 7.06 -47.75 0 6 -1 88 381.314 5 ↓

Parameters Provided:

ring.id = 74938
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 = 74938 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=74938&filter.purchasability=annotated

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