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

    Analogs

    2584778
    2584778
    4335805
    4335805
    3067310
    3067310

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-[4-(benzyloxy)benzylidene]-2,4-dichlorobenzohydrazide N'-[4-(benzyloxy)benzylidene]-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) 6.03 0.16 -14.92 1 4 0 51 399.277 6 ↓

    Analogs

    3067296
    3067296
    3067298
    3067298
    4355259
    4355259
    4815562
    4815562
    4827489
    4827489

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-N-[(E)-[4-(4-chlorobenzyl)oxy-3-ethoxy-benzylidene]amino]benzamide 2-chloro-N-[(E)-[4-(4-chlorobenz…

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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) 6.02 0.49 -17.69 1 5 0 59 443.33 8 ↓

    Analogs

    2584681
    2584681
    2584732
    2584732
    4363459
    4363459
    5526679
    5526679
    20764653
    20764653

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-chloro-N-[(E)-[4-(4-chlorobenzyl)oxy-3-ethoxy-benzylidene]amino]benzamide 3-chloro-N-[(E)-[4-(4-chlorobenz…

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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) 6.05 0.46 -17.24 1 5 0 59 443.33 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(E)-[4-(4-chlorobenzyl)oxy-3-ethoxy-benzylidene]amino]-3-methyl-benzamide N-[(E)-[4-(4-chlorobenzyl)oxy-3-…

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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) 5.82 0.93 -16.34 1 5 0 59 422.912 8 ↓

    Analogs

    2576477
    2576477
    2578292
    2578292
    2584681
    2584681
    2584732
    2584732
    4363459
    4363459

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(E)-[4-(4-chlorobenzyl)oxy-3-ethoxy-benzylidene]amino]-3,4-dimethoxy-benzamide N-[(E)-[4-(4-chlorobenzyl)oxy-3-…

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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) 5.04 0.98 -19.18 1 7 0 78 468.937 10 ↓

    Analogs

    4363459
    4363459

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(E)-[4-(4-chlorobenzyl)oxy-3-ethoxy-benzylidene]amino]-4-methyl-benzamide N-[(E)-[4-(4-chlorobenzyl)oxy-3-…

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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) 5.84 0.93 -16.04 1 5 0 59 422.912 8 ↓

    Analogs

    2774534
    2774534
    3181014
    3181014
    20763875
    20763875
    20763937
    20763937

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(E)-[4-(4-chlorobenzyl)oxy-3-ethoxy-benzylidene]amino]-4-nitro-benzamide N-[(E)-[4-(4-chlorobenzyl)oxy-3-…

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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) 5.35 1.13 -17.94 1 8 0 105 453.882 9 ↓

    Analogs

    2578297
    2578297
    2581499
    2581499
    2597259
    2597259
    2597260
    2597260
    2597261
    2597261

    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) 5.70 0.45 -15.3 1 5 0 59 429.303 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[2-ethoxy-4-[(4-iodo-3-methoxy-benzoyl)aminoiminomethyl]phenoxy]methyl]benzoic 4-[[2-ethoxy-4-[(4-iodo-3-methox…

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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) 5.69 -0.38 -64.35 1 8 -1 109 573.363 10 ↓

    Analogs

    33759991
    33759991
    731359
    731359

    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) 5.79 1.52 -18.93 1 6 0 69 404.466 8 ↓

    Analogs

    4287605
    4287605
    33759991
    33759991
    731359
    731359

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzoic acid, 2-methoxy-, [[4-(phenylmethoxy)phenyl]methylene]hydrazide benzoic acid, 2-methoxy-, [[4-(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) 5.31 1.16 -18.48 1 5 0 59 360.413 7 ↓

    Analogs

    3352920
    3352920
    5911857
    5911857
    40888784
    40888784

    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) 6.46 1.58 -14.29 1 4 0 50 386.495 7 ↓

    Analogs

    40888535
    40888535

    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) 6.05 1.9 -16 1 5 0 59 416.521 8 ↓

    Analogs

    4327053
    4327053
    5720968
    5720968
    5720970
    5720970
    30966619
    30966619
    33786141
    33786141

    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) 4.40 0.79 -17.92 1 6 0 69 390.439 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(E)-[3-chloro-5-methoxy-4-(4-methylbenzyl)oxy-benzylidene]amino]-3-nitro-benzamide N-[(E)-[3-chloro-5-methoxy-4-(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) 5.53 12.1 -28.77 1 8 0 106 453.882 8 ↓

    Analogs

    20228624
    20228624

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(E)-[4-(2-chloro-6-fluoro-benzyl)oxy-3-ethoxy-benzylidene]amino]-3,5-dinitro-benzamide N-[(E)-[4-(2-chloro-6-fluoro-ben…

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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) 5.31 12.82 -18.92 1 11 0 152 516.869 10 ↓

    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 = 102009 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=102009&filter.purchasability=annotated

    Embed Link to Results

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