UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(3-cyano-4-oxo-1-quinolyl)-N-(3-fluorophenyl)acetamide 2-(3-cyano-4-oxo-1-quinolyl)-N-(…

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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) 1.57 8.56 -32.52 1 5 0 75 321.311 3 ↓

Analogs

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Popular Name: N,N-dimethyl-3-[[2-(4-oxo-1-quinolyl)acetyl]amino]benzamide N,N-dimethyl-3-[[2-(4-oxo-1-quin…

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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) 0.36 7.95 -35.61 1 6 0 71 349.39 4 ↓

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-N-ethyl-2-(4-oxo-1-quinolyl)acetamide N-(2,4-dimethylphenyl)-N-ethyl-2…

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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) 2.87 12.12 -22.98 0 4 0 42 334.419 4 ↓

Analogs

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Popular Name: 2-(3-cyano-4-oxo-1-quinolyl)-N-(4-ethylphenyl)acetamide 2-(3-cyano-4-oxo-1-quinolyl)-N-(…

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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 9.92 -28.36 1 5 0 75 331.375 4 ↓

Analogs

12543106
12543106

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Popular Name: N-(5-tert-butyl-2-hydroxy-phenyl)-2-(4-oxo-1-quinolyl)acetamide N-(5-tert-butyl-2-hydroxy-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) 2.84 7.68 -22.9 2 5 0 71 350.418 4 ↓

Analogs

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Popular Name: N-(4-ethylphenyl)-2-(4-oxo-1-quinolyl)acetamide N-(4-ethylphenyl)-2-(4-oxo-1-qui…

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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 9.53 -23.95 1 4 0 51 306.365 4 ↓

Analogs

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Popular Name: N-ethyl-3-[[2-(4-oxo-1-quinolyl)acetyl]amino]benzamide N-ethyl-3-[[2-(4-oxo-1-quinolyl)…

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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) 0.97 7.21 -35.03 2 6 0 80 349.39 5 ↓

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-(4-oxo-1-quinolyl)acetamide N-(3-chloro-4-methyl-phenyl)-2-(…

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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) 2.48 9.2 -23.44 1 4 0 51 326.783 3 ↓

Parameters Provided:

ring.id = 173244
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 = 173244 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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