UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[benzyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]propanamide 3-[benzyl-[(2-oxo-3,4-dihydro-1H…

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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) 1.32 -7.06 -19.78 3 7 0 109 387.461 7 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-[(1R)-1-(2,5-dimethylphenyl)et…

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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) 3.45 5.5 -14.64 2 5 0 75 358.463 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-[(1S)-1-(2,5-dimethylphenyl)et…

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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) 3.45 5.52 -13.68 2 5 0 75 358.463 4 ↓

Analogs

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Popular Name: N-[(4-dimethylaminophenyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-[(4-dimethylaminophenyl)methyl…

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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) 2.42 6.05 -14.93 1 6 0 70 373.478 5 ↓

Analogs

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Popular Name: N-[(1R)-3-methyl-1-phenyl-butyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-[(1R)-3-methyl-1-phenyl-butyl]…

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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) 3.91 6.22 -13.61 2 5 0 75 372.49 6 ↓

Analogs

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Popular Name: N-[(1S)-3-methyl-1-phenyl-butyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-[(1S)-3-methyl-1-phenyl-butyl]…

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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) 3.91 6.62 -12.11 2 5 0 75 372.49 6 ↓

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-2-oxo-N-pentyl-3,4-dihydro-1H-quinoline-6-sulfonamide N-[(4-fluorophenyl)methyl]-2-oxo…

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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 8.83 -14.62 1 5 0 66 404.507 8 ↓

Analogs

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Popular Name: N-[(1R)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-[(1R)-1-(3,4-dipropoxyphenyl)e…

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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) 4.03 7.02 -18.39 2 7 0 94 446.569 10 ↓

Analogs

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Popular Name: N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-[(1S)-1-(3,4-dipropoxyphenyl)e…

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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) 4.03 7.05 -17.64 2 7 0 94 446.569 10 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-[(1S)-1-(3-fluoro-4-methoxy-ph…

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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) 2.78 3.75 -16.42 2 6 0 85 378.425 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-fluoro-4-methoxy-phenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-[(1R)-1-(3-fluoro-4-methoxy-ph…

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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) 2.78 3.66 -17.25 2 6 0 85 378.425 5 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.14 7.2 -17.32 1 7 0 93 402.472 8 ↓

Parameters Provided:

ring.id = 10292
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 = 10292 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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