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

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-5-chloro-thiophene-2-carboxamide N-(6-amino-2,3-dihydro-1,4-benzo…

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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) 2.45 3.41 -11.02 3 5 0 74 310.762 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-aminoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide N-(2-aminoethyl)-N-(2,3-dihydro-…

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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 3.59 -69.36 3 5 1 66 305.379 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-[(5-ethyl-4-methyl-thiophene-2-carbonyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(5-ethyl-4-methyl-thiophene-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) 3.43 6.81 -52.9 1 6 -1 88 346.384 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-[(4,5-dibromothiophene-2-carbonyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(4,5-dibromothiophene-2-carbo…

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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) 3.93 5.92 -46.25 1 6 -1 88 462.095 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-[(5-methyl-4-propyl-thiophene-2-carbonyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(5-methyl-4-propyl-thiophene-…

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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) 3.71 7.56 -52.9 1 6 -1 88 360.411 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-[(5-bromothiophene-2-carbonyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(5-bromothiophene-2-carbonyl)…

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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) 3.19 5.38 -48.39 1 6 -1 88 383.199 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-[(3-methylthiophene-2-carbonyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(3-methylthiophene-2-carbonyl…

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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) 2.63 5.33 -52.3 1 6 -1 88 318.33 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-[(5-chlorothiophene-2-carbonyl)amino]-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-[(5-chlorothiophene-2-carbonyl…

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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) 3.06 5.27 -48.4 1 6 -1 88 338.748 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-(thiophene-2-carbonylamino)-2,3-dihydro-1,4-benzodioxine-6-carboxylic 7-(thiophene-2-carbonylamino)-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) 2.26 4.66 -51.8 1 6 -1 88 304.303 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-methyl-N-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide 3-methyl-N-(6-methylsulfanyl-2,3…

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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) 2.97 6.43 -10.82 1 4 0 48 321.423 3 ↓

    Analogs

    16707930
    16707930

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-thiophene-2-carboxamide N-(6-bromo-2,3-dihydro-1,4-benzo…

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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) 3.19 6.25 -9.17 1 4 0 48 354.225 2 ↓

    Analogs

    36737007
    36737007

    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) 2.24 4.64 -12.59 1 4 0 48 261.302 2 ↓

    Parameters Provided:

    ring.id = 18049
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 = 18049 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=18049&filter.purchasability=annotated

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