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

    43702164
    43702164
    43702165
    43702165

    Draw Identity 99% 90% 80% 70%


    Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

    Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

    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) 2.89 7 -7.44 0 4 0 43 273.332 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,3-dimethyl-N-[2-(morpholine-4-carbonyl)benzofuran-3-yl]butanamide 3,3-dimethyl-N-[2-(morpholine-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) 2.87 6.53 -8.84 1 6 0 72 344.411 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-N-[2-(morpholine-4-carbonyl)benzofuran-3-yl]pentanamide 4-methyl-N-[2-(morpholine-4-carb…

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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) 2.82 6.63 -9.91 1 6 0 72 344.411 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(morpholine-4-carbonyl)benzofuran-3-yl]pentanamide N-[2-(morpholine-4-carbonyl)benz…

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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 6.1 -10.55 1 6 0 72 330.384 5 ↓

    Analogs

    37855131
    37855131
    37855178
    37855178

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-fluoro-3-methyl-benzofuran-2-yl)-morpholino-methanone (5-fluoro-3-methyl-benzofuran-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) 1.33 5.54 -7.03 0 4 0 43 263.268 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(5-methoxy-3-methyl-benzofuran-2-yl)methanone [(2S,6R)-2,6-dimethylmorpholin-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) 2.92 6.27 -8.12 0 5 0 52 303.358 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(5-methoxy-3-methyl-benzofuran-2-yl)methanone [(2R,6R)-2,6-dimethylmorpholin-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) 2.92 6.26 -8.04 0 5 0 52 303.358 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(5-methoxy-3-methyl-benzofuran-2-yl)methanone [(2S,6S)-2,6-dimethylmorpholin-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) 2.92 6.43 -7.95 0 5 0 52 303.358 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-methoxy-3-methyl-benzofuran-2-yl)-morpholino-methanone (5-methoxy-3-methyl-benzofuran-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) 2.19 4.76 -8.51 0 5 0 52 275.304 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-methoxy-N-[2-(morpholine-4-carbonyl)benzofuran-3-yl]propanamide (2S)-2-methoxy-N-[2-(morpholine-…

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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) 1.24 4.45 -11.9 1 7 0 81 332.356 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-methoxy-N-[2-(morpholine-4-carbonyl)benzofuran-3-yl]propanamide (2R)-2-methoxy-N-[2-(morpholine-…

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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) 1.24 4.51 -12.51 1 7 0 81 332.356 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(morpholine-4-carbonyl)benzofuran-3-yl]pent-4-enamide N-[2-(morpholine-4-carbonyl)benz…

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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) 2.32 5.92 -10.07 1 6 0 72 328.368 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-methoxy-N-[2-(morpholine-4-carbonyl)benzofuran-3-yl]butanamide (2S)-2-methoxy-N-[2-(morpholine-…

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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) 1.74 5.32 -10.83 1 7 0 81 346.383 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (7-bromobenzofuran-2-yl)-(3,3-dimethylmorpholin-4-yl)methanone (7-bromobenzofuran-2-yl)-(3,3-di…

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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) 3.36 6.57 -6.71 0 4 0 43 338.201 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-bromobenzofuran-2-yl)-(3,3-dimethylmorpholin-4-yl)methanone (5-bromobenzofuran-2-yl)-(3,3-di…

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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) 3.38 6.57 -5.96 0 4 0 43 338.201 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-chlorobenzofuran-2-yl)-(3,3-dimethylmorpholin-4-yl)methanone (5-chlorobenzofuran-2-yl)-(3,3-d…

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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) 3.25 6.47 -6.1 0 4 0 43 293.75 1 ↓

    Analogs

    41825582
    41825582
    41825584
    41825584
    41825586
    41825586

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-bromobenzofuran-2-yl)-[(2R,5R)-2,5-dimethylmorpholin-4-yl]methanone (5-bromobenzofuran-2-yl)-[(2R,5R…

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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) 3.26 6.94 -6.37 0 4 0 43 338.201 1 ↓

    Analogs

    41825584
    41825584
    41825586
    41825586
    41825580
    41825580

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-bromobenzofuran-2-yl)-[(2S,5R)-2,5-dimethylmorpholin-4-yl]methanone (5-bromobenzofuran-2-yl)-[(2S,5R…

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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) 3.26 6.64 -5.89 0 4 0 43 338.201 1 ↓

    Analogs

    41825586
    41825586
    41825580
    41825580
    41825582
    41825582

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-bromobenzofuran-2-yl)-[(2R,5S)-2,5-dimethylmorpholin-4-yl]methanone (5-bromobenzofuran-2-yl)-[(2R,5S…

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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) 3.26 6.8 -5.82 0 4 0 43 338.201 1 ↓

    Analogs

    41825580
    41825580
    41825582
    41825582
    41825584
    41825584

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-bromobenzofuran-2-yl)-[(2S,5S)-2,5-dimethylmorpholin-4-yl]methanone (5-bromobenzofuran-2-yl)-[(2S,5S…

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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) 3.26 6.78 -6.4 0 4 0 43 338.201 1 ↓

    Parameters Provided:

    ring.id = 35234
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 = 35234 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=35234&filter.purchasability=annotated

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