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

    Analogs

    11695538
    11695538
    13655404
    13655404
    13702445
    13702445

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-methyl-5-(1H-pyrazole-3-carbonylamino)thiophene-2-carboxylic 3-methyl-5-(1H-pyrazole-3-carbon…

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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) 1.42 3.33 -55.12 2 6 -1 98 250.259 3 ↓

    Analogs

    38506503
    38506503
    38508429
    38508429
    85508
    85508

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4,5-dimethyl-2-(1H-pyrazole-3-carbonylamino)thiophene-3-carboxylic 4,5-dimethyl-2-(1H-pyrazole-3-ca…

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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) 1.33 4.04 -47.89 2 6 -1 98 264.286 3 ↓

    Analogs

    13699691
    13699691
    13699692
    13699692

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2-ethyl-5-isopropyl-pyrazole-3-carbonyl)amino]thiophene-3-carboxylic 2-[(2-ethyl-5-isopropyl-pyrazole…

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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) 2.46 6.75 -48.46 1 6 -1 87 306.367 5 ↓

    Analogs

    38506438
    38506438
    38508400
    38508400
    13655448
    13655448
    11695545
    11695545
    13655450
    13655450

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(1H-pyrazole-3-carbonylamino)thiophene-3-carboxylic 2-(1H-pyrazole-3-carbonylamino)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) 0.73 2.76 -47.96 2 6 -1 98 236.232 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(4-bromo-2,5-dimethyl-pyrazole-3-carbonyl)amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carbo 2-[(4-bromo-2,5-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 7.41 -13.42 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-2-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 3.03 -12.01 3 6 0 90 418.26 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-carbamoyl-4,5-dimethyl-2-thienyl)-4-chloro-2,5-dimethyl-pyrazole-3-carboxamide N-(3-carbamoyl-4,5-dimethyl-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) 1.47 -3.13 -12.93 3 6 0 90 326.809 3 ↓

    Analogs

    2782185
    2782185
    6726735
    6726735
    2780590
    2780590
    2779091
    2779091

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-cyano-5-(dimethylcarbamoyl)-4-methyl-2-thienyl]-2-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 -11.84 1 7 0 91 317.374 3 ↓

    Analogs

    2782093
    2782093
    2782382
    2782382
    2778740
    2778740

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-bromo-N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]-2,5-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 6.98 -11.45 1 7 0 91 438.351 5 ↓

    Analogs

    2782382
    2782382

    Draw Identity 99% 90% 80% 70%

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

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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 7.38 -16.38 1 11 0 139 437.478 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-carbamoyl-4,5-dimethyl-2-thienyl)-2-(difluoromethyl)pyrazole-3-carboxamide N-(3-carbamoyl-4,5-dimethyl-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) 1.20 -1.5 -13.93 3 6 0 90 314.317 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(4-bromo-2,5-dimethyl-pyrazole-3-carbonyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic-acid-iso 5-[(4-bromo-2,5-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 7.66 -8.92 1 7 0 97 425.308 5 ↓

    Analogs

    2782251
    2782251
    2782382
    2782382

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-cyano-5-(dimethylcarbamoyl)-4-methyl-2-thienyl]-2-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 2.98 -12.52 1 7 0 91 385.371 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(4-chloro-2,5-dimethyl-pyrazole-3-carbonyl)amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carb 2-[(4-chloro-2,5-dimethyl-pyrazo…

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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) 2.68 7.32 -13.51 1 8 0 94 426.926 6 ↓

    Analogs

    6726203
    6726203

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(difluoromethyl)pyrazole-3-carboxamide N-(3-cyano-4,5-dimethyl-2-thieny…

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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) 2.14 2.83 -10 1 5 0 70 296.302 3 ↓

    Analogs

    2782527
    2782527
    2781895
    2781895
    2781971
    2781971
    2735690
    2735690

    Draw Identity 99% 90% 80% 70%

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

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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) 1.90 7.12 -13.79 1 10 0 137 404.452 6 ↓

    Analogs

    2778740
    2778740

    Draw Identity 99% 90% 80% 70%

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

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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) 2.15 0.11 -11.27 1 7 0 91 410.297 4 ↓

    Analogs

    3671165
    3671165

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-bromo-N-(3-carbamoyl-4,5-dimethyl-2-thienyl)-2-methyl-pyrazole-3-carboxamide 4-bromo-N-(3-carbamoyl-4,5-dimet…

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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) 1.38 -3.86 -12.6 3 6 0 90 357.233 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-carbamoyl-5-isopropyl-2-thienyl)-2-methyl-4-nitro-pyrazole-3-carboxamide N-(3-carbamoyl-5-isopropyl-2-thi…

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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) 1.21 -2 -14.14 3 9 0 135 337.361 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-ethyl-5-methyl-2-[[2-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylic-ac 4-ethyl-5-methyl-2-[[2-methyl-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) 3.26 3.23 -9.74 1 6 0 73 375.372 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-cyano-5-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-3-methyl-thiophene-2-carboxylic-acid-ethyl- 4-cyano-5-[[2-(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 3.43 -9.38 1 7 0 97 354.338 6 ↓

    Analogs

    2807745
    2807745
    5672928
    5672928
    9001778
    9001778
    13699624
    13699624
    2785410
    2785410

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3-carbethoxy-4,5-dimethyl-2-thienyl)carbamoyl]-1-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 7.79 -11.21 1 8 0 100 379.438 8 ↓

    Analogs

    5877299
    5877299

    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) 2.36 1.32 -7.61 1 6 0 73 307.375 6 ↓

    Analogs

    2807745
    2807745
    5672928
    5672928
    9001778
    9001778
    13699624
    13699624
    2785410
    2785410

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3-carbomethoxy-4,5-dimethyl-2-thienyl)carbamoyl]-1-methyl-pyrazole-3-carboxylic-acid-ethyl-ester 5-[(3-carbomethoxy-4,5-dimethyl-…

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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) 2.11 6.86 -11.41 1 8 0 100 365.411 7 ↓

    Analogs

    2807745
    2807745
    5672928
    5672928
    2785410
    2785410
    2111374
    2111374
    2735674
    2735674

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3-carbomethoxy-4-ethyl-5-methyl-2-thienyl)carbamoyl]-1-methyl-pyrazole-3-carboxylic-acid-ethyl-e 5-[(3-carbomethoxy-4-ethyl-5-met…

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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) 2.57 7.61 -11.48 1 8 0 100 379.438 8 ↓

    Analogs

    2735901
    2735901

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3-cyano-4,5-dimethyl-2-thienyl)carbamoyl]-1-methyl-pyrazole-3-carboxylic-acid-ethyl-ester 5-[(3-cyano-4,5-dimethyl-2-thien…

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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) 2.03 2.2 -10.1 1 7 0 97 332.385 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-carbamoyl-5-propyl-2-thienyl)-2-methyl-pyrazole-3-carboxamide N-(3-carbamoyl-5-propyl-2-thieny…

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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) 1.34 -2.49 -9.96 3 6 0 90 292.364 5 ↓

    Parameters Provided:

    ring.id = 128590
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 = 128590 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=128590&filter.purchasability=annotated

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