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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%


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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) 3.11 -5.13 -15.66 0 5 0 57 393.317 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-fluoro-3-methyl-benzothiophen-2-yl)-(4-methylpiperazin-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) 2.97 5.94 -9.23 0 3 0 24 292.379 1 ↓
    Mid Mid (pH 6-8) 2.97 8.28 -45.32 1 3 1 25 293.387 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-chloro-6-fluoro-benzothiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (3-chloro-6-fluoro-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) 2.59 4.89 -15.72 0 5 0 58 376.862 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-fluoro-3-methyl-benzothiophen-2-yl)-(4-methylsulfonylpiperazin-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) 2.34 5 -15.37 0 5 0 58 356.444 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-allyl-2-[4-(3-chlorobenzothiophene-2-carbonyl)piperazin-1-yl]acetamide N-allyl-2-[4-(3-chlorobenzothiop…

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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) 3.33 5.83 -14.76 1 5 0 53 377.897 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-allyl-2-[4-(3-chloro-6-fluoro-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide N-allyl-2-[4-(3-chloro-6-fluoro-…

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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) 3.47 5.89 -12.72 1 5 0 53 395.887 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-allyl-2-[4-(4-fluorobenzothiophene-2-carbonyl)piperazin-1-yl]acetamide N-allyl-2-[4-(4-fluorobenzothiop…

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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 5.33 -13.96 1 5 0 53 361.442 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-allyl-2-[4-(4-fluoro-3-methyl-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide N-allyl-2-[4-(4-fluoro-3-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) 3.22 5.92 -14.88 1 5 0 53 375.469 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-fluoro-3-(methoxymethyl)benzothiophen-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone [4-fluoro-3-(methoxymethyl)benzo…

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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) 1.85 4.06 -16.71 0 6 0 67 386.47 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-methylsulfonylpiperazin-1-yl)-(3,4,6-trichlorobenzothiophen-2-yl)methanone (4-methylsulfonylpiperazin-1-yl)…

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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) 3.71 5.65 -16.65 0 5 0 58 427.762 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(3,6-dichloro-1-benzothien-2-yl)carbonyl]-4-(2,2,3,3,4,4,4-heptafluorobutanoyl)piperazine 1-[(3,6-dichloro-1-benzothien-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) 5.26 3.28 -8.36 0 4 0 40 511.246 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-methoxypropyl)-2-[4-(3-methylbenzothiophene-2-carbonyl)piperazin-1-yl]acetamide N-(3-methoxypropyl)-2-[4-(3-meth…

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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) 2.71 5.19 -14.4 1 6 0 62 389.521 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-(4-fluorobenzothiophene-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide 2-[4-(4-fluorobenzothiophene-2-c…

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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) 2.45 4.6 -14.95 1 6 0 62 393.484 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzothiophen-2-yl-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone benzothiophen-2-yl-[(2S,6R)-2,6-…

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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) 2.54 6.12 -49.81 2 3 1 37 275.397 1 ↓
    Mid Mid (pH 6-8) 2.54 4.83 -7.56 1 3 0 32 274.389 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzothiophen-2-yl-[(2S,6S)-2,6-dimethylpiperazin-1-yl]methanone benzothiophen-2-yl-[(2S,6S)-2,6-…

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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) 2.54 6.78 -49.6 2 3 1 37 275.397 1 ↓
    Mid Mid (pH 6-8) 2.54 5.46 -7.88 1 3 0 32 274.389 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzothiophen-2-yl-[(2R,6R)-2,6-dimethylpiperazin-1-yl]methanone benzothiophen-2-yl-[(2R,6R)-2,6-…

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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) 2.54 6.74 -49.8 2 3 1 37 275.397 1 ↓
    Mid Mid (pH 6-8) 2.54 5.42 -7.99 1 3 0 32 274.389 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-methoxybenzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone (3-methoxybenzothiophen-2-yl)-(4…

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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 4.84 -10.98 0 4 0 33 290.388 2 ↓
    Mid Mid (pH 6-8) 2.46 7.19 -46.82 1 4 1 34 291.396 2 ↓

    Analogs

    17093710
    17093710

    Draw Identity 99% 90% 80% 70%

    Popular Name: (Z)-4-[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazin-1-yl]-4-oxo-but-2-enoic (Z)-4-[4-(3-chloro-6-nitro-benzo…

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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) 2.10 10.03 -59.72 0 9 -1 127 422.826 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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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) 3.57 6.64 -11.51 0 3 0 24 326.824 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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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) 3.88 7.3 -8.38 0 3 0 24 322.861 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(4-fluorobenzothiophene-2-carbonyl)-N-isopropyl-piperazine-1-carboxamide 4-(4-fluorobenzothiophene-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) 3.46 7.33 -16.09 1 5 0 53 349.431 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-fluorobenzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone (5-fluorobenzothiophen-2-yl)-(4-…

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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) 1.64 5.36 -7.7 0 3 0 24 278.352 1 ↓
    Mid Mid (pH 6-8) 1.64 7.7 -46.48 1 3 1 25 279.36 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-fluoro-3-methyl-benzothiophen-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-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) 2.70 4.29 -10.18 1 4 0 44 336.432 3 ↓
    Lo Low (pH 4.5-6) 2.70 6.52 -42.52 2 4 1 45 337.44 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-fluoro-3-methyl-benzothiophen-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-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) 2.70 4.15 -10.7 1 4 0 44 336.432 3 ↓
    Lo Low (pH 4.5-6) 2.70 6.43 -44.2 2 4 1 45 337.44 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-fluorobenzothiophen-2-yl)-[4-(2-hydroxy-2-methyl-propyl)piperazin-1-yl]methanone (4-fluorobenzothiophen-2-yl)-[4-…

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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) 2.77 5.13 -11.71 1 4 0 44 336.432 3 ↓
    Lo Low (pH 4.5-6) 2.77 6.91 -48.7 2 4 1 45 337.44 3 ↓

    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=4010&filter.purchasability=annotated

    Embed Link to Results

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