UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36880213
36880213
26531615
26531615
20467563
20467563

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Popular Name: 5-bromo-N-(4-oxocyclohexyl)pyridine-3-sulfonamide 5-bromo-N-(4-oxocyclohexyl)pyrid…

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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) 0.99 1.93 -12.08 1 5 0 76 333.207 3 ↓

Analogs

44243257
44243257
44260961
44260961
44261288
44261288
44262010
44262010
44262014
44262014

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Popular Name: N-(4-oxocyclohexyl)pyridine-3-sulfonamide N-(4-oxocyclohexyl)pyridine-3-su…

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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) 0.04 1.34 -13.37 1 5 0 76 254.311 3 ↓

Analogs

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Popular Name: 6-nitro-N-(4-oxocyclohexyl)pyridine-3-sulfonamide 6-nitro-N-(4-oxocyclohexyl)pyrid…

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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) 0.34 3.04 -17.33 1 8 0 122 299.308 4 ↓
Hi High (pH 8-9.5) 0.34 2.88 -32.42 0 8 -1 124 298.3 4 ↓

Parameters Provided:

ring.id = 6330
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 = 6330 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=6330&filter.purchasability=annotated

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