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    line: 245
    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

    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) 1.96 5.93 -10.65 1 5 0 71 274.349 3 ↓

    Analogs

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    Popular Name: 2-[(4-bromo-1,5-dimethyl-pyrazole-3-carbonyl)amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carbo 2-[(4-bromo-1,5-dimethyl-pyrazol…

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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) 2.81 7.3 -15.82 1 8 0 94 471.377 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-carbamoyl-4-ethyl-5-methyl-2-thienyl)-4-iodo-1-methyl-pyrazole-3-carboxamide N-(3-carbamoyl-4-ethyl-5-methyl-…

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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) 2.12 3.2 -13.88 3 6 0 90 418.26 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-4-iodo-1-methyl-pyrazole-3-carboxamide N-(3-cyano-4-ethyl-5-methyl-2-th…

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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 0.79 -10.28 1 5 0 70 400.245 3 ↓

    Analogs

    2782093
    2782093
    2782382
    2782382
    2778740
    2778740

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    Popular Name: 4-bromo-N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]-1,5-dimethyl-pyrazole-3-carboxamide 4-bromo-N-[3-cyano-5-(diethylcar…

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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) 2.75 7.14 -13.11 1 7 0 91 438.351 5 ↓

    Analogs

    2778300
    2778300
    2781057
    2781057
    2781771
    2781771

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-cyano-5-(dimethylcarbamoyl)-4-methyl-2-thienyl]-1-methyl-pyrazole-3-carboxamide N-[3-cyano-5-(dimethylcarbamoyl)…

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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) 1.04 1.05 -13.22 1 7 0 91 317.374 3 ↓

    Analogs

    2782205
    2782205
    2780932
    2780932

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    Popular Name: N-[3-cyano-5-(dimethylcarbamoyl)-4-methyl-2-thienyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxam N-[3-cyano-5-(dimethylcarbamoyl)…

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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) 2.17 2.71 -11.13 1 7 0 91 385.371 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(4-bromo-1,5-dimethyl-pyrazole-3-carbonyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic-acid-iso 5-[(4-bromo-1,5-dimethyl-pyrazol…

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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) 3.13 7.76 -10.55 1 7 0 97 425.308 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(4-bromo-1,5-dimethyl-pyrazole-3-carbonyl)amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic-acid 2-[(4-bromo-1,5-dimethyl-pyrazol…

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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) 2.19 4.29 -14.74 3 8 0 116 443.323 6 ↓

    Analogs

    2782093
    2782093

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-bromo-N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]-1-ethyl-pyrazole-3-carboxamide 4-bromo-N-[3-cyano-5-(diethylcar…

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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) 2.90 7.51 -12.84 1 7 0 91 438.351 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-cyano-5-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-3-methyl-thiophene-2-carboxylic-acid-ethyl- 4-cyano-5-[[1-(difluoromethyl)py…

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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) 2.36 3.02 -8.89 1 7 0 97 354.338 6 ↓

    Analogs

    2793095
    2793095
    2798041
    2798041
    2798255
    2798255

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3-carbethoxy-4,5-dimethyl-2-thienyl)carbamoyl]-2-methyl-pyrazole-3-carboxylic-acid-ethyl-ester 5-[(3-carbethoxy-4,5-dimethyl-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) 2.48 7.85 -12.36 1 8 0 100 379.438 8 ↓

    Parameters Provided:

    ring.id = 4466
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 = 4466 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=4466&filter.purchasability=annotated

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    line: 245