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

    Analogs

    8871697
    8871697

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5Z)-5-[[5-(4-bromophenyl)-2-furyl]methylene]-3-(2-chlorophenyl)-2-thioxo-thiazolidin-4-one (5Z)-5-[[5-(4-bromophenyl)-2-fur…

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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) 5.99 14 -14.59 0 3 0 35 476.804 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5Z)-5-[[5-(2-methyl-5-nitro-phenyl)-2-furyl]methylene]-2-thioxo-3-[3-(trifluoromethyl)phenyl]thiazo (5Z)-5-[[5-(2-methyl-5-nitro-phe…

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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) 5.76 14.55 -19.03 0 6 0 81 490.484 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5Z)-5-[[5-(4-methoxy-2-nitro-phenyl)-2-furyl]methylene]-2-thioxo-3-[3-(trifluoromethyl)phenyl]thiaz (5Z)-5-[[5-(4-methoxy-2-nitro-ph…

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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) 5.37 13.77 -25.87 0 7 0 90 506.483 6 ↓

    Analogs

    39859319
    39859319

    Draw Identity 99% 90% 80% 70%

    Popular Name: (Z)-5-((5-(2-methyl-5-nitrophenyl)furan-2-yl)methylene)-3-phenyl-2-thioxothiazolidin-4-one (Z)-5-((5-(2-methyl-5-nitropheny…

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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) 4.68 13.55 -18.99 0 6 0 81 422.487 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (Z)-5-((5-(4-ethoxy-2-nitrophenyl)furan-2-yl)methylene)-3-phenyl-2-thioxothiazolidin-4-one (Z)-5-((5-(4-ethoxy-2-nitropheny…

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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) 4.66 13.69 -26.04 0 7 0 90 452.513 6 ↓

    Analogs

    23402455
    23402455
    39859222
    39859222
    39859319
    39859319
    39861536
    39861536
    39861758
    39861758

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5E)-5-[[5-(3-nitrophenyl)-2-furyl]methylene]-3-phenyl-2-thioxo-thiazolidin-4-one (5E)-5-[[5-(3-nitrophenyl)-2-fur…

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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) 4.28 13.95 -28.26 0 6 0 81 408.46 4 ↓

    Analogs

    3639739
    3639739
    3639730
    3639730

    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) 4.25 0.46 -61.12 0 5 -1 75 406.464 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5E)-3-(3,4-dichlorophenyl)-5-[[5-(4-hydroxy-3-nitro-phenyl)-2-furyl]methylene]-2-thioxo-thiazolidin (5E)-3-(3,4-dichlorophenyl)-5-[[…

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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) 5.51 13.07 -29.25 1 7 0 101 493.349 4 ↓

    Parameters Provided:

    ring.id = 20939
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 = 20939 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=20939&filter.purchasability=annotated

    Embed Link to Results

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