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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    Popular Name: 6-[(5Z)-5-[(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexano 6-[(5Z)-5-[(1-butyl-5-chloro-3-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) 3.53 11.35 -53.06 0 6 -1 80 428.987 10 ↓

    Analogs

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    Popular Name: 3-[(5Z)-5-[(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propan 3-[(5Z)-5-[(1-butyl-5-chloro-3-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) 2.25 8.98 -51.46 0 6 -1 80 386.906 7 ↓

    Analogs

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    Popular Name: 4-[(5Z)-5-[(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butano 4-[(5Z)-5-[(1-butyl-5-chloro-3-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) 2.52 9.79 -52.94 0 6 -1 80 400.933 8 ↓

    Analogs

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    Popular Name: 2-[(5Z)-5-[(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic 2-[(5Z)-5-[(1-butyl-5-chloro-3-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) 1.98 8.54 -52.33 0 6 -1 80 372.879 6 ↓

    Analogs

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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) 1.24 7.05 -11.84 0 4 0 40 281.406 3 ↓

    Analogs

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    Popular Name: (5Z)-3-allyl-5-[[1-(2-chloroethyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-allyl-5-[[1-(2-chloroethy…

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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) 1.52 7.76 -13.05 0 4 0 40 313.835 5 ↓

    Analogs

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    Popular Name: (5E)-5-[(1,5-dimethylpyrazol-4-yl)methylene]-3-methyl-2-thioxo-thiazolidin-4-one (5E)-5-[(1,5-dimethylpyrazol-4-y…

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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) 0.49 -0.81 -13.23 0 4 0 39 253.352 1 ↓

    Analogs

    2787488
    2787488

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5E)-3-methyl-5-[(1-methylpyrazol-4-yl)methylene]-2-thioxo-thiazolidin-4-one (5E)-3-methyl-5-[(1-methylpyrazo…

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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) 0.27 5.06 -14.01 0 4 0 40 239.325 1 ↓

    Analogs

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    Popular Name: (5E)-5-[(1,3-dimethylpyrazol-4-yl)methylene]-3-methyl-2-thioxo-thiazolidin-4-one (5E)-5-[(1,3-dimethylpyrazol-4-y…

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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) 0.49 -0.74 -10.16 0 4 0 39 253.352 1 ↓

    Analogs

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    Popular Name: (5Z)-3-allyl-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-allyl-5-[(3,5-dimethyl-1H…

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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) 1.29 6.24 -9.62 1 4 0 51 279.39 3 ↓

    Parameters Provided:

    ring.id = 123744
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 = 123744 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    line: 245