UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42199944
42199944
42199946
42199946
129656
129656

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Popular Name: 5-bromo-N-(4-oxocyclohexyl)pyridine-3-carboxamide 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) 0.95 4.26 -10.43 1 4 0 59 297.152 2 ↓

Analogs

23390372
23390372

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Popular Name: 6-methyl-N-(4-oxocyclohexyl)pyridine-3-carboxamide 6-methyl-N-(4-oxocyclohexyl)pyri…

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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) 0.05 4.27 -10.93 1 4 0 59 232.283 2 ↓

Analogs

362767
362767

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Popular Name: N-(4-oxocyclohexyl)pyridine-3-carboxamide N-(4-oxocyclohexyl)pyridine-3-ca…

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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) 0.00 3.65 -10.93 1 4 0 59 218.256 2 ↓

Analogs

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Popular Name: 2-methoxy-N-(4-oxocyclohexyl)pyridine-3-carboxamide 2-methoxy-N-(4-oxocyclohexyl)pyr…

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Activity (Go SEA)

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 3.4 -15.43 1 5 0 68 248.282 3 ↓

Parameters Provided:

ring.id = 123083
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 = 123083 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=123083&filter.purchasability=annotated

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