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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    Analogs

    1959313
    1959313
    1965197
    1965197

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 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) 3.41 9.73 -14.7 1 7 0 98 426.494 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[3-(4-ethoxyphenyl)-1-oxo-2-propenyl]amino]-5,6-dihydro-, ethyl ester 4H-cyclopenta[b]thiophene-3-carb…

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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) 4.48 10.66 -11.34 1 5 0 65 385.485 8 ↓

    Analogs

    33937653
    33937653

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[3-(4-ethoxyphenyl)-1-oxo-2-propenyl]amino]-5,6-dihydro-, methyl ester 4H-cyclopenta[b]thiophene-3-carb…

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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) 4.10 9.73 -11.56 1 5 0 65 371.458 7 ↓

    Analogs

    5720381
    5720381
    5720382
    5720382
    40864659
    40864659
    40864661
    40864661

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4R)-2-[[(E)-3-p-phenetylacryloyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic-acid (4R)-2-[[(E)-3-p-phenetylacryloy…

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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) 3.11 2.13 -15.62 1 7 0 90 429.494 9 ↓

    Analogs

    5720381
    5720381
    5720382
    5720382
    40864659
    40864659
    40864661
    40864661

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4S)-2-[[(E)-3-p-phenetylacryloyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic-acid (4S)-2-[[(E)-3-p-phenetylacryloy…

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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) 3.11 10.33 -17.21 1 7 0 91 429.494 9 ↓

    Analogs

    1946666
    1946666
    1946670
    1946670
    4860613
    4860613

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

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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) 5.28 2.57 -11.71 1 5 0 79 408.523 7 ↓

    Analogs

    1946666
    1946666
    1946670
    1946670

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 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) 4.90 2.6 -11.82 1 5 0 79 394.496 6 ↓

    Analogs

    1946666
    1946666
    1946670
    1946670

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[(Z)-2-cyano-3-p-cumenyl-acryloyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic-acid- 2-[[(Z)-2-cyano-3-p-cumenyl-acry…

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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) 4.90 2.87 -11.72 1 5 0 79 394.496 6 ↓

    Analogs

    4860524
    4860524
    4860526
    4860526

    Draw Identity 99% 90% 80% 70%

    Popular Name: dimethyl 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) 3.92 3.95 -16.44 1 7 0 105 452.532 8 ↓

    Analogs

    4860524
    4860524
    4860526
    4860526

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4R)-2-[[(Z)-2-cyano-3-p-cumenyl-acryloyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxy (4R)-2-[[(Z)-2-cyano-3-p-cumenyl…

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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) 3.92 12.69 -16.16 1 7 0 106 452.532 8 ↓

    Analogs

    4860524
    4860524
    4860526
    4860526

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4S)-2-[[(Z)-2-cyano-3-p-cumenyl-acryloyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxy (4S)-2-[[(Z)-2-cyano-3-p-cumenyl…

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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) 3.92 4.06 -17.92 1 7 0 105 452.532 8 ↓

    Analogs

    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) 4.51 1.31 -14.87 1 7 0 101 400.456 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(8-cyano-6-thiabicyclo[3.3.0]octa-7,9-dien-7-yl)-3-(2,4-dichlorophenyl)-prop-2-enamide N-(8-cyano-6-thiabicyclo[3.3.0]o…

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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) 4.70 0.78 -9 1 3 0 52 363.269 3 ↓

    Analogs

    16696200
    16696200

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-(3-phenylprop-2-enoylamino)-6-thiabicyclo[3.3.0]octa-7,9-diene-8-carboxylic 7-(3-phenylprop-2-enoylamino)-6-…

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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) 3.41 9.49 -53.95 1 4 -1 69 312.37 4 ↓

    Parameters Provided:

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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 = 222042 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    line: 245