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

    Analogs

    12401534
    12401534

    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) 5.82 12.14 -13.66 1 3 0 42 356.535 5 ↓

    Analogs

    12401532
    12401532

    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) 5.82 12.14 -13.82 1 3 0 42 356.535 5 ↓

    Analogs

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    Popular Name: 2-(2-chloro-6-fluoro-phenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)acetamide 2-(2-chloro-6-fluoro-phenyl)-N-(…

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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) 4.46 9.46 -13.45 1 3 0 42 338.835 3 ↓

    Analogs

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    Popular Name: 2-(3,4-dimethoxyphenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)acetamide 2-(3,4-dimethoxyphenyl)-N-(5,6,7…

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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) 3.37 8.21 -18.73 1 5 0 60 346.452 5 ↓

    Analogs

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    Popular Name: 2-(4-bromophenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)acetamide 2-(4-bromophenyl)-N-(5,6,7,8-tet…

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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) 4.53 9.52 -14.93 1 3 0 42 365.296 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-methoxyphenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)acetamide 2-(3-methoxyphenyl)-N-(5,6,7,8-t…

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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) 3.75 8.2 -16.55 1 4 0 51 316.426 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-fluorophenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)acetamide 2-(3-fluorophenyl)-N-(5,6,7,8-te…

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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) 3.86 8.96 -15.83 1 3 0 42 304.39 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-chlorophenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)acetamide 2-(2-chlorophenyl)-N-(5,6,7,8-te…

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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) 4.35 9.33 -14.26 1 3 0 42 320.845 3 ↓

    Parameters Provided:

    ring.id = 100195
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 = 100195 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=100195&filter.purchasability=annotated

    Embed Link to Results

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