UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)thiophene-2-carboxamide 3-methyl-N-(1-methyl-2-oxo-3,4-d…

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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) 2.34 7.04 -12.31 1 4 0 49 300.383 2 ↓

Analogs

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Popular Name: 5-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)thiophene-2-carboxamide 5-methyl-N-(1-methyl-2-oxo-3,4-d…

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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) 2.19 7.19 -12.12 1 4 0 49 300.383 2 ↓

Analogs

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Popular Name: N-(1-isopentyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methyl-thiophene-2-carboxamide N-(1-isopentyl-2-oxo-3,4-dihydro…

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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) 4.00 10.02 -11.8 1 4 0 49 356.491 5 ↓

Analogs

37124066
37124066
37124067
37124067

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Popular Name: 5-chloro-N-(1-isopentyl-2-oxo-3,4-dihydroquinolin-6-yl)thiophene-2-carboxamide 5-chloro-N-(1-isopentyl-2-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) 4.42 9.87 -10.91 1 4 0 49 376.909 5 ↓

Parameters Provided:

ring.id = 367537
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 = 367537 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=367537&filter.purchasability=annotated

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