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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one 7-methoxy-4-[[4-(2-methylpropano…

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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) 2.11 6.87 -20.18 0 6 0 63 344.411 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7,8-dimethyl-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one 7,8-dimethyl-4-[[4-(2-methylprop…

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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) 2.88 8.72 -14.54 0 5 0 54 342.439 3 ↓

    Analogs

    43615973
    43615973

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-hydroxy-8-methyl-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one 7-hydroxy-8-methyl-4-[[4-(2-meth…

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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 5.57 -19.7 1 6 0 74 344.411 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

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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) 2.89 8.33 -14.78 0 6 0 63 344.411 4 ↓

    Analogs

    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) 2.84 8.04 -49.71 2 7 1 76 402.515 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-chloro-4-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-7-methyl-chromen-2-one 6-chloro-4-[[4-(2,2-difluoroethy…

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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) 3.24 7.11 -10.67 0 4 0 37 356.8 4 ↓
    Mid Mid (pH 6-8) 3.24 9.37 -51.91 1 4 1 38 357.808 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-7-hydroxy-8-methyl-chromen-2-one 4-[[4-(2,2-difluoroethyl)piperaz…

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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) 2.55 3.87 -14.54 1 5 0 57 338.354 4 ↓
    Mid Mid (pH 6-8) 2.55 6.14 -57.55 2 5 1 58 339.362 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

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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) 2.49 5.15 -20.25 1 7 0 75 395.406 7 ↓
    Mid Mid (pH 6-8) 2.49 7.42 -65.81 2 7 1 76 396.414 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one 4-[[4-(2,2-difluoroethyl)piperaz…

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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 7.2 -13.46 0 4 0 37 336.382 4 ↓
    Mid Mid (pH 6-8) 3.01 9.45 -54.71 1 4 1 38 337.39 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-6,7-dimethyl-chromen-2-one 4-[[4-(2,2-difluoroethyl)piperaz…

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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 7.23 -12.99 0 4 0 37 336.382 4 ↓
    Mid Mid (pH 6-8) 3.01 9.49 -54.28 1 4 1 38 337.39 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-2-oxo-chromen-7-yl]acetamide N-[4-[[4-(2,2-difluoroethyl)pipe…

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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) 1.40 4.92 -16.07 1 6 0 66 365.38 5 ↓
    Mid Mid (pH 6-8) 1.40 7.17 -54.64 2 6 1 67 366.388 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-6-ethyl-7-hydroxy-chromen-2-one 4-[[4-(2,2-difluoroethyl)piperaz…

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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 4.69 -13.56 1 5 0 57 352.381 5 ↓
    Mid Mid (pH 6-8) 3.01 6.96 -57.61 2 5 1 58 353.389 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-bromo-4-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]chromen-2-one 7-bromo-4-[[4-(2,2-difluoroethyl…

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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) 2.99 6.61 -12.16 0 4 0 37 387.224 4 ↓
    Mid Mid (pH 6-8) 2.99 8.88 -57.78 1 4 1 38 388.232 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-7-hydroxy-chromen-2-one 4-[[(2S,6R)-2,6-dimethylpiperazi…

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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) 1.20 3.99 -55.48 3 5 1 70 289.355 2 ↓
    Hi High (pH 8-9.5) 1.20 2.65 -10.09 2 5 0 66 288.347 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-7-hydroxy-chromen-2-one 4-[[(2S,6S)-2,6-dimethylpiperazi…

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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) 1.20 3.12 -50.87 3 5 1 70 289.355 2 ↓
    Hi High (pH 8-9.5) 1.20 1.78 -10.46 2 5 0 66 288.347 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-7-hydroxy-chromen-2-one 4-[[(2R,6R)-2,6-dimethylpiperazi…

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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) 1.20 3.13 -51.36 3 5 1 70 289.355 2 ↓
    Hi High (pH 8-9.5) 1.20 1.98 -10.31 2 5 0 66 288.347 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-bromo-4-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]chromen-2-one 7-bromo-4-[[(2S,6R)-2,6-dimethyl…

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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) 2.49 7.44 -53.33 2 4 1 50 352.252 2 ↓
    Hi High (pH 8-9.5) 2.49 6.1 -7.76 1 4 0 45 351.244 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-bromo-4-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]chromen-2-one 7-bromo-4-[[(2S,6S)-2,6-dimethyl…

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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) 2.49 6.57 -49.47 2 4 1 50 352.252 2 ↓
    Hi High (pH 8-9.5) 2.49 5.23 -7.96 1 4 0 45 351.244 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-bromo-4-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]chromen-2-one 7-bromo-4-[[(2R,6R)-2,6-dimethyl…

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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) 2.49 6.58 -49.39 2 4 1 50 352.252 2 ↓
    Hi High (pH 8-9.5) 2.49 5.43 -8.02 1 4 0 45 351.244 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-7-methyl-chromen-2-one 4-[[(2S,6R)-2,6-dimethylpiperazi…

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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) 2.13 7.03 -52.43 2 4 1 50 287.383 2 ↓
    Hi High (pH 8-9.5) 2.13 5.68 -9.14 1 4 0 45 286.375 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-7-methyl-chromen-2-one 4-[[(2S,6S)-2,6-dimethylpiperazi…

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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) 2.13 6.61 -49.12 2 4 1 50 287.383 2 ↓
    Hi High (pH 8-9.5) 2.13 5.46 -9.15 1 4 0 45 286.375 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-7-methyl-chromen-2-one 4-[[(2R,6R)-2,6-dimethylpiperazi…

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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) 2.13 6.63 -49.13 2 4 1 50 287.383 2 ↓
    Hi High (pH 8-9.5) 2.13 5.47 -9.19 1 4 0 45 286.375 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6,7-dimethyl-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one 6,7-dimethyl-4-[[4-(2-methylprop…

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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) 2.88 8.49 -14.79 0 5 0 54 342.439 3 ↓
    Mid Mid (pH 6-8) 2.88 10.69 -61.1 1 5 1 55 343.447 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-ethyl-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]chromen-2-one 6-ethyl-4-[(4-ethylsulfonylpiper…

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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) 2.28 6.21 -17.23 0 6 0 71 364.467 5 ↓
    Lo Low (pH 4.5-6) 2.28 8.43 -63.65 1 6 1 72 365.475 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(4-acetylpiperazin-1-yl)methyl]-6,8-dimethyl-chromen-2-one 4-[(4-acetylpiperazin-1-yl)methy…

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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) 1.80 7.5 -18.22 0 5 0 54 314.385 2 ↓
    Mid Mid (pH 6-8) 1.80 9.71 -64.94 1 5 1 55 315.393 2 ↓

    Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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    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 = 43118 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=43118&filter.purchasability=annotated

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