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

    Analogs

    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) 3.20 2.01 -21.7 1 7 0 90 389.429 8 ↓

    Analogs

    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) 3.32 10.2 -26.35 1 9 0 120 420.443 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,3,5-trichloro-6-[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[d]thiophen-2-yl)amino]-2-oxo-ethox 2,3,5-trichloro-6-[2-[(3-ethoxyc…

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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) 4.76 11.04 -55.08 1 7 -1 105 491.756 8 ↓

    Analogs

    40851720
    40851720
    40851723
    40851723

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4S)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic (4S)-2-[[2-(2,4-dimethylphenoxy)…

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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) 2.84 2.47 -18.59 1 7 0 90 417.483 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4R)-2-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarb (4R)-2-[[2-(4-chloro-2-methyl-ph…

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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) 3.07 2.13 -16.73 1 7 0 90 437.901 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[2-(2-methoxyphenoxy)-1-oxopropyl]amino]-, 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) 2.98 9.16 -16.29 1 6 0 74 375.446 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[2-(2-methoxyphenoxy)-1-oxopropyl]amino]-, 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) 2.98 9.16 -16.42 1 6 0 74 375.446 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[2-(2-methoxyphenoxy)-1-oxopropyl]amino]-, 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) 3.35 10.09 -16.07 1 6 0 74 389.473 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[2-(2-methoxyphenoxy)-1-oxopropyl]amino]-, 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) 3.35 10.09 -16.07 1 6 0 74 389.473 8 ↓

    Analogs

    1956819
    1956819
    1956821
    1956821

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[2-(4-chlorophenoxy)-1-oxopropyl]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) 4.04 9.93 -12.55 1 5 0 65 379.865 6 ↓

    Analogs

    1956819
    1956819
    1956821
    1956821

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[2-(4-chlorophenoxy)-1-oxopropyl]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) 4.04 9.93 -12.56 1 5 0 65 379.865 6 ↓

    Analogs

    1956788
    1956788
    1956789
    1956789

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[2-(4-chlorophenoxy)-1-oxopropyl]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) 4.42 10.86 -12.29 1 5 0 65 393.892 7 ↓

    Analogs

    1956788
    1956788
    1956789
    1956789

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[2-(4-chlorophenoxy)-1-oxopropyl]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) 4.42 10.85 -12.22 1 5 0 65 393.892 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[(2R)-2-(3-bromophenoxy)propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic-acid- 2-[[(2R)-2-(3-bromophenoxy)propa…

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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) 4.15 0.1 -13.82 1 5 0 64 424.316 6 ↓

    Analogs

    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) 4.19 10.8 -12.75 1 5 0 65 373.474 6 ↓

    Analogs

    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) 4.19 10.8 -12.73 1 5 0 65 373.474 6 ↓

    Analogs

    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) 4.56 11.73 -12.45 1 5 0 65 387.501 7 ↓

    Analogs

    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) 4.56 11.73 -12.43 1 5 0 65 387.501 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[2-(4-methylphenoxy)-1-oxobutyl]amino]-, 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) 4.31 10.67 -12.54 1 5 0 65 373.474 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[2-(4-methylphenoxy)-1-oxobutyl]amino]-, 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) 4.31 10.69 -12.59 1 5 0 65 373.474 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[2-(4-methylphenoxy)-1-oxobutyl]amino]-, 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) 4.69 11.6 -12.22 1 5 0 65 387.501 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[2-(4-methylphenoxy)-1-oxobutyl]amino]-, 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) 4.69 11.62 -12.25 1 5 0 65 387.501 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) 4.60 1.16 -12.46 1 5 0 64 387.501 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) 4.60 1.18 -12.49 1 5 0 64 387.501 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide N-(3-cyano-5,6-dihydro-4H-cyclop…

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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) 3.36 3.91 -10.72 1 4 0 62 370.327 4 ↓

    Analogs

    8454385
    8454385

    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) 5.89 0.91 -12.22 1 5 0 64 456.391 8 ↓

    Analogs

    9247984
    9247984

    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) 2.69 -1.6 -23.54 3 7 0 107 388.445 8 ↓

    Analogs

    16004373
    16004373

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[2-(2,3,4,5,6-pentachlorophenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamid 2-[[2-(2,3,4,5,6-pentachlorophen…

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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) 5.09 7.34 -11.58 3 5 0 81 488.607 5 ↓

    Parameters Provided:

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    Structural Results Found: (before additional filtering)

    SQL Query Was

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    //zinc12.docking.org/results/combination?ring.id=5941&filter.purchasability=annotated

    Embed Link to Results

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