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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-furyl)-N-[(1R)-1-methyl-2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide 2-(2-furyl)-N-[(1R)-1-methyl-2-o…

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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) 2.71 5.9 -12.57 2 6 0 84 351.406 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-furyl)-N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide 2-(2-furyl)-N-[(1S)-1-methyl-2-o…

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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) 2.71 5.91 -12.5 2 6 0 84 351.406 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(5-methyl-2-furyl)-N-[(1R)-1-methyl-2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide 2-(5-methyl-2-furyl)-N-[(1R)-1-m…

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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) 2.94 6.72 -12.48 2 6 0 84 365.433 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(5-methyl-2-furyl)-N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide 2-(5-methyl-2-furyl)-N-[(1S)-1-m…

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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) 2.94 6.72 -12.39 2 6 0 84 365.433 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(ethylamino)-2-oxo-ethyl]-2-(5-methyl-2-furyl)quinoline-4-carboxamide N-[2-(ethylamino)-2-oxo-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) 2.60 5.09 -12.52 2 6 0 84 337.379 5 ↓

    Analogs

    4489889
    4489889
    6339067
    6339067
    25524711
    25524711

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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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 -0.45 -10.27 1 4 0 55 280.327 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(5-methyl-2-furyl)-N-octyl-4-quinolinecarboxamide 2-(5-methyl-2-furyl)-N-octyl-4-q…

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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) 6.08 0.23 -9.86 1 1 0 55 364.489 4 ↓

    Analogs

    4422335
    4422335
    42928629
    42928629

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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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) 4.85 8.87 -10.15 1 4 0 55 322.408 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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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) 4.06 -0.25 -9.86 1 4 0 55 308.381 5 ↓

    Analogs

    6278999
    6278999

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(5-Methyl-2-furyl)quinoline-4-carbohydrazide 2-(5-Methyl-2-furyl)quinoline-4-…

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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) 1.81 -4.54 -11.46 3 5 0 81 267.288 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-acetamidoethyl)-2-(2-furyl)quinoline-4-carboxamide N-(2-acetamidoethyl)-2-(2-furyl)…

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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) 1.55 4.11 -15.41 2 6 0 84 323.352 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-furyl)-N'-(2-propoxyacetyl)quinoline-4-carbohydrazide 2-(2-furyl)-N'-(2-propoxyacetyl)…

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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 6.33 -14.55 2 7 0 93 353.378 7 ↓

    Analogs

    42928629
    42928629

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3,3-dimethylbutyl)-2-(2-furyl)quinoline-4-carboxamide N-(3,3-dimethylbutyl)-2-(2-furyl…

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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) 4.37 8.2 -10.05 1 4 0 55 322.408 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-furyl)-N-(3-hydroxypropyl)quinoline-4-carboxamide 2-(2-furyl)-N-(3-hydroxypropyl)q…

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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) 2.04 3.21 -11.67 2 5 0 75 296.326 5 ↓

    Analogs

    23379471
    23379471
    23408466
    23408466

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-dimethylaminoethyl)-2-(2-furyl)quinoline-4-carboxamide N-(2-dimethylaminoethyl)-2-(2-fu…

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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) 2.43 7.07 -47.03 2 5 1 60 310.377 5 ↓
    Hi High (pH 8-9.5) 2.43 4.59 -10.63 1 5 0 58 309.369 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-[2-(diethylamino)acetyl]-2-(2-furyl)quinoline-4-carbohydrazide N'-[2-(diethylamino)acetyl]-2-(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) 2.26 7.28 -44.06 3 7 1 89 367.429 7 ↓
    Hi High (pH 8-9.5) 2.26 5.22 -12.26 2 7 0 87 366.421 7 ↓

    Analogs

    268582
    268582
    3757693
    3757693

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-methoxy-2-(5-methyl-2-furyl)quinoline-4-carboxylic 7-methoxy-2-(5-methyl-2-furyl)qu…

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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) 3.03 7.23 -49.34 0 5 -1 75 282.275 3 ↓
    Lo Low (pH 4.5-6) 3.03 7.51 -30.61 1 5 0 77 283.283 3 ↓

    Analogs

    12042425
    12042425
    421767
    421767

    Draw Identity 99% 90% 80% 70%

    Popular Name: 8-bromo-6-fluoro-2-(2-furyl)quinoline-4-carboxylic 8-bromo-6-fluoro-2-(2-furyl)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) 2.68 7.91 -44.71 0 4 -1 66 335.108 2 ↓

    Analogs

    421767
    421767

    Draw Identity 99% 90% 80% 70%

    Popular Name: 8-fluoro-2-(2-furyl)-6-methyl-quinoline-4-carboxylic 8-fluoro-2-(2-furyl)-6-methyl-qu…

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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) 3.30 7.85 -48.49 0 4 -1 66 270.239 2 ↓

    Analogs

    108862
    108862
    5237257
    5237257

    Draw Identity 99% 90% 80% 70%

    Popular Name: 8-fluoro-6-methyl-2-(5-methyl-2-furyl)quinoline-4-carboxylic 8-fluoro-6-methyl-2-(5-methyl-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) 3.52 8.67 -48.86 0 4 -1 66 284.266 2 ↓

    Analogs

    421767
    421767

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-chloro-8-fluoro-2-(2-furyl)quinoline-4-carboxylic 5-chloro-8-fluoro-2-(2-furyl)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) 3.52 7.68 -51.02 0 4 -1 66 290.657 2 ↓

    Analogs

    2521472
    2521472

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-chloro-2-(2-furyl)quinoline-4-carboxylic 7-chloro-2-(2-furyl)quinoline-4-…

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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) 3.43 7.62 -45.45 0 4 -1 66 272.667 2 ↓

    Analogs

    2526092
    2526092
    2521472
    2521472

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-chloro-2-(5-methyl-2-furyl)quinoline-4-carboxylic 7-chloro-2-(5-methyl-2-furyl)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) 3.65 8.45 -45.84 0 4 -1 66 286.694 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5,7-difluoro-2-(2-furyl)quinoline-4-carboxylic 5,7-difluoro-2-(2-furyl)quinolin…

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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) 3.01 7.35 -51.71 0 4 -1 66 274.202 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5,7-difluoro-2-(5-methyl-2-furyl)quinoline-4-carboxylic 5,7-difluoro-2-(5-methyl-2-furyl…

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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) 3.23 8.17 -52 0 4 -1 66 288.229 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-bromo-7-fluoro-2-(2-furyl)quinoline-4-carboxylic 6-bromo-7-fluoro-2-(2-furyl)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) 3.66 7.76 -42.88 0 4 -1 66 335.108 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-chloro-2-(2-furyl)quinoline-4-carboxylic 5-chloro-2-(2-furyl)quinoline-4-…

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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) 3.41 7.59 -55.52 0 4 -1 66 272.667 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-chloro-2-(5-methyl-2-furyl)quinoline-4-carboxylic 5-chloro-2-(5-methyl-2-furyl)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) 3.63 8.41 -55.94 0 4 -1 66 286.694 2 ↓

    Parameters Provided:

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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 = 172014 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=172014&filter.purchasability=annotated

    Embed Link to Results

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