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

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-fluoro-3-methyl-benzothiophen-2-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (4-fluoro-3-methyl-benzothiophen…

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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) 2.56 4.36 -10.94 1 3 0 41 279.336 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-fluoro-3-methyl-benzothiophen-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (4-fluoro-3-methyl-benzothiophen…

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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) 2.56 4.24 -11.76 1 3 0 41 279.336 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(benzothiophen-2-yl)methanone [(3R)-3-(aminomethyl)pyrrolidin-…

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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) 1.89 5.1 -52.51 3 3 1 48 261.37 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(benzothiophen-2-yl)methanone [(3S)-3-(aminomethyl)pyrrolidin-…

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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) 1.89 5.11 -52.51 3 3 1 48 261.37 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-1-(3-chloro-6-fluoro-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylic (2R)-1-(3-chloro-6-fluoro-benzot…

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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) 1.51 8.59 -58.43 0 4 -1 60 326.756 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-1-(3-chloro-6-fluoro-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylic (2S)-1-(3-chloro-6-fluoro-benzot…

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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) 1.51 8.88 -57.99 0 4 -1 60 326.756 2 ↓

    Analogs

    22503832
    22503832

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R,4R)-1-(4-fluorobenzothiophene-2-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic (2R,4R)-1-(4-fluorobenzothiophen…

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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) -0.04 4.74 -65.09 1 5 -1 81 308.31 2 ↓

    Analogs

    22503832
    22503832

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R,4S)-1-(4-fluorobenzothiophene-2-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic (2R,4S)-1-(4-fluorobenzothiophen…

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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) -0.04 4.74 -66.89 1 5 -1 81 308.31 2 ↓

    Analogs

    22503832
    22503832

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,4R)-1-(4-fluorobenzothiophene-2-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic (2S,4R)-1-(4-fluorobenzothiophen…

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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) -0.04 5.09 -66.47 1 5 -1 81 308.31 2 ↓

    Analogs

    22503832
    22503832

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,4S)-1-(4-fluorobenzothiophene-2-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic (2S,4S)-1-(4-fluorobenzothiophen…

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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) -0.04 5.09 -64.79 1 5 -1 81 308.31 2 ↓

    Analogs

    48392956
    48392956
    12506042
    12506042
    12762341
    12762341

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R,4R)-1-(5-fluorobenzothiophene-2-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic (2R,4R)-1-(5-fluorobenzothiophen…

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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) -0.99 4.74 -60.28 1 5 -1 81 308.31 2 ↓

    Analogs

    48392956
    48392956
    12506042
    12506042
    12762341
    12762341

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R,4S)-1-(5-fluorobenzothiophene-2-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic (2R,4S)-1-(5-fluorobenzothiophen…

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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) -0.99 4.74 -61.95 1 5 -1 81 308.31 2 ↓

    Analogs

    48392956
    48392956
    12506042
    12506042
    12762341
    12762341

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,4R)-1-(5-fluorobenzothiophene-2-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic (2S,4R)-1-(5-fluorobenzothiophen…

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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) -0.99 5.09 -61.52 1 5 -1 81 308.31 2 ↓

    Analogs

    48392956
    48392956
    12506042
    12506042
    12762341
    12762341

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,4S)-1-(5-fluorobenzothiophene-2-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic (2S,4S)-1-(5-fluorobenzothiophen…

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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) -0.99 5.09 -59.95 1 5 -1 81 308.31 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-bromo-1-benzothiophen-2-yl)(1-pyrrolidinyl)methanone (5-bromo-1-benzothiophen-2-yl)(1…

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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) 3.77 -1.4 -8.18 0 2 0 20 310.216 1 ↓

    Analogs

    2797022
    2797022

    Draw Identity 99% 90% 80% 70%

    Popular Name: [7-bromo-3-chloro-4-(difluoromethoxy)benzothiophen-2-yl]-pyrrolidino-methanone [7-bromo-3-chloro-4-(difluoromet…

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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) 4.92 -0.29 -10.36 0 3 0 29 410.667 3 ↓

    Analogs

    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) 3.73 7.69 -8 0 2 0 20 283.755 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-1-(3-chlorobenzothiophene-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(3-chlorobenzothiophene-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) 3.18 8.44 -51.93 0 4 -1 60 322.793 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-1-(3-chlorobenzothiophene-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(3-chlorobenzothiophene-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) 3.18 8.6 -51.16 0 4 -1 60 322.793 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-1-(4-fluorobenzothiophene-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(4-fluorobenzothiophene-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) 2.69 8.03 -52.94 0 4 -1 60 306.338 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-1-(4-fluorobenzothiophene-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(4-fluorobenzothiophene-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) 2.69 8.2 -51.38 0 4 -1 60 306.338 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-1-(5-fluorobenzothiophene-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(5-fluorobenzothiophene-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) 1.74 8.04 -49.47 0 4 -1 60 306.338 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-1-(5-fluorobenzothiophene-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(5-fluorobenzothiophene-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) 1.74 8.2 -48.09 0 4 -1 60 306.338 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-3-methyl-1-(3-methylbenzothiophene-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(3-methylbenzoth…

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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) 2.95 8.55 -51.26 0 4 -1 60 302.375 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-3-methyl-1-(3-methylbenzothiophene-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(3-methylbenzoth…

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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) 2.95 8.69 -52.45 0 4 -1 60 302.375 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-1-(benzothiophene-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(benzothiophene-2-carbony…

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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 7.99 -51.09 0 4 -1 60 288.348 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-1-(benzothiophene-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(benzothiophene-2-carbony…

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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 8.14 -51.68 0 4 -1 60 288.348 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-1-(benzothiophene-2-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(benzothiophene-2-carbony…

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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) 2.91 8.62 -46.09 0 4 -1 60 302.375 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-1-(benzothiophene-2-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(benzothiophene-2-carbony…

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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) 2.91 8.63 -51.14 0 4 -1 60 302.375 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-aminobenzothiophen-2-yl)-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone (5-aminobenzothiophen-2-yl)-[(3R…

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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) 1.78 6.13 -44.9 3 4 1 51 290.412 2 ↓
    Hi High (pH 8-9.5) 1.78 3.73 -9.39 2 4 0 50 289.404 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-aminobenzothiophen-2-yl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone (5-aminobenzothiophen-2-yl)-[(3S…

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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) 1.78 6.13 -44.89 3 4 1 51 290.412 2 ↓
    Hi High (pH 8-9.5) 1.78 3.71 -9.4 2 4 0 50 289.404 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-fluoro-3-methoxy-benzothiophen-2-yl)-pyrrolidin-1-yl-methanone (4-fluoro-3-methoxy-benzothiophe…

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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) 3.08 7.48 -13.89 0 3 0 30 279.336 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-fluoro-3-methoxy-benzothiophen-2-yl)-pyrrolidin-1-yl-methanone (5-fluoro-3-methoxy-benzothiophe…

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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 7.45 -11.14 0 3 0 30 279.336 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-chloro-3-methoxy-benzothiophen-2-yl)-pyrrolidin-1-yl-methanone (5-chloro-3-methoxy-benzothiophe…

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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) 3.62 7.9 -10.58 0 3 0 30 295.791 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6-chloro-3-methoxy-benzothiophen-2-yl)-pyrrolidin-1-yl-methanone (6-chloro-3-methoxy-benzothiophe…

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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) 3.62 7.9 -9.29 0 3 0 30 295.791 2 ↓

    Analogs

    44646967
    44646967
    44646968
    44646968

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,4R)-4-amino-1-(benzothiophene-2-carbonyl)-N-isopropyl-pyrrolidine-2-carboxamide (2S,4R)-4-amino-1-(benzothiophen…

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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 4.26 -67.62 4 5 1 77 332.449 3 ↓
    Hi High (pH 8-9.5) 1.34 3.97 -16.39 3 5 0 75 331.441 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2R)-1-(3-chlorobenzothiophene-2-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(3-chlorobenzothiophen…

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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) 3.09 8.77 -55.81 0 4 -1 60 322.793 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2S)-1-(3-chlorobenzothiophene-2-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(3-chlorobenzothiophen…

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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) 3.09 8.83 -55.87 0 4 -1 60 322.793 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2R)-1-(5-fluorobenzothiophene-2-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(5-fluorobenzothiophen…

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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) 1.66 8.36 -53.22 0 4 -1 60 306.338 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2S)-1-(5-fluorobenzothiophene-2-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(5-fluorobenzothiophen…

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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) 1.66 8.42 -53.25 0 4 -1 60 306.338 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2R)-1-(3-methylbenzothiophene-2-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(3-methylbenzothiophen…

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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) 2.87 8.87 -54.07 0 4 -1 60 302.375 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2S)-1-(3-methylbenzothiophene-2-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(3-methylbenzothiophen…

    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) 2.87 8.93 -54.14 0 4 -1 60 302.375 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2R)-1-(benzothiophene-2-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(benzothiophene-2-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) 2.49 8.3 -54.55 0 4 -1 60 288.348 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2S)-1-(benzothiophene-2-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(benzothiophene-2-carb…

    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) 2.49 8.36 -54.59 0 4 -1 60 288.348 3 ↓

    Analogs

    42434221
    42434221

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzothiophen-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone benzothiophen-2-yl-[(2R)-2-(hydr…

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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) 2.34 6.1 -12.1 1 3 0 41 261.346 2 ↓

    Analogs

    42434220
    42434220

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzothiophen-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone benzothiophen-2-yl-[(2S)-2-(hydr…

    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) 2.34 6.09 -12.12 1 3 0 41 261.346 2 ↓

    Parameters Provided:

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filter.purchasability = annotated
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    Structural Results Found: (before additional filtering)

    SQL Query Was

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    //zinc12.docking.org/results/combination?ring.id=8623&filter.purchasability=annotated

    Embed Link to Results

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