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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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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) 2.78 -0.3 -11.27 1 5 0 68 320.348 5 ↓

Analogs

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Popular Name: N-[(3-aminophenyl)methyl]quinoline-2-carboxamide N-[(3-aminophenyl)methyl]quinoli…

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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) 1.66 4.93 -8.98 3 4 0 68 277.327 3 ↓

Analogs

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Popular Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-2-carboxamide N-methyl-N-[(4-methylsulfanylphe…

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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) 3.28 10.79 -9.71 0 3 0 33 322.433 4 ↓

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-N-(2,2,2-trifluoroethyl)quinoline-2-carboxamide N-[(4-methoxyphenyl)methyl]-N-(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) 3.83 10.72 -10.36 0 4 0 42 374.362 6 ↓

Analogs

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Popular Name: N-[[3-(2-dimethylaminoethyloxy)phenyl]methyl]quinoline-2-carboxamide N-[[3-(2-dimethylaminoethyloxy)p…

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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) 2.67 8.75 -40.97 2 5 1 56 350.442 7 ↓
Hi High (pH 8-9.5) 2.67 6.22 -10.37 1 5 0 54 349.434 7 ↓

Analogs

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Popular Name: N-[(1R)-1-(3,4-difluorophenyl)ethyl]quinoline-2-carboxamide N-[(1R)-1-(3,4-difluorophenyl)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) 3.42 8.03 -9.67 1 3 0 42 312.319 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(3,4-difluorophenyl)ethyl]quinoline-2-carboxamide N-[(1S)-1-(3,4-difluorophenyl)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) 3.42 8.04 -9.59 1 3 0 42 312.319 3 ↓

Analogs

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Popular Name: 4,8-dimethoxy-N-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide 4,8-dimethoxy-N-[(4-methoxypheny…

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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) 3.34 5.11 -11.02 1 6 0 70 352.39 6 ↓
Lo Low (pH 4.5-6) 3.34 5.62 -26.63 2 6 1 71 353.398 6 ↓

Parameters Provided:

ring.id = 5921
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 = 5921 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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