UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2602247
2602247

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Popular Name: 5-bromo-N-(4-oxocyclohexyl)thiophene-2-sulfonamide 5-bromo-N-(4-oxocyclohexyl)thiop…

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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) 1.99 2.91 -11.08 1 4 0 63 338.248 3 ↓

Analogs

470948
470948

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Popular Name: 5-chloro-N-(4-oxocyclohexyl)thiophene-2-sulfonamide 5-chloro-N-(4-oxocyclohexyl)thio…

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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) 1.86 2.81 -11.07 1 4 0 63 293.797 3 ↓

Analogs

48436674
48436674
48959798
48959798
32549365
32549365
26875542
26875542
26875547
26875547

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Popular Name: 5-methyl-N-(4-oxocyclohexyl)thiophene-2-sulfonamide 5-methyl-N-(4-oxocyclohexyl)thio…

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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) 1.28 2.91 -12.07 1 4 0 63 273.379 3 ↓

Analogs

48959793
48959793
49336339
49336339
241699
241699

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Popular Name: N-(4-oxocyclohexyl)thiophene-2-sulfonamide N-(4-oxocyclohexyl)thiophene-2-s…

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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) 1.05 2.08 -12.26 1 4 0 63 259.352 3 ↓

Parameters Provided:

ring.id = 123274
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 = 123274 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=123274&filter.purchasability=annotated

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