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

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-3-chloro-2-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one (2R)-3-chloro-2-methyl-1-[4-(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) 1.06 6.06 -13.75 0 4 0 41 300.811 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-3-chloro-2-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one (2S)-3-chloro-2-methyl-1-[4-(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) 1.06 6.1 -13.24 0 4 0 41 300.811 3 ↓

    Analogs

    43605328
    43605328

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(ethylamino)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one 3-(ethylamino)-1-[4-(thiophene-3…

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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) -0.21 5.15 -55.2 2 5 1 57 296.416 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(ethylamino)-2-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one 2-(ethylamino)-2-methyl-1-[4-(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) 0.68 5.12 -45.07 2 5 1 57 310.443 4 ↓
    Hi High (pH 8-9.5) 0.68 5.01 -12.55 1 5 0 53 309.435 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methyl-2-(methylamino)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one 2-methyl-2-(methylamino)-1-[4-(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) 0.30 4.3 -47.05 2 5 1 57 296.416 3 ↓
    Hi High (pH 8-9.5) 0.30 4.16 -11.14 1 5 0 53 295.408 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2,5-dimethyl-3-thienyl)-(4-methylpiperazin-1-yl)methanone (2,5-dimethyl-3-thienyl)-(4-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) 0.83 4.41 -7.85 0 3 0 24 238.356 1 ↓
    Mid Mid (pH 6-8) 0.83 6.77 -42.42 1 3 1 25 239.364 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-bromo-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one (2S)-2-bromo-1-[4-(thiophene-3-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) 1.31 6.26 -11.29 0 4 0 41 345.262 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-bromo-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one (2R)-2-bromo-1-[4-(thiophene-3-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) 1.31 6.26 -13.45 0 4 0 41 345.262 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(2S,6R)-2,6-dimethylpiperazin-1-yl]-(3-thienyl)methanone [(2S,6R)-2,6-dimethylpiperazin-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) 0.45 3.75 -47.43 2 3 1 37 225.337 1 ↓
    Mid Mid (pH 6-8) 0.45 2.43 -6.89 1 3 0 32 224.329 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(2S,6S)-2,6-dimethylpiperazin-1-yl]-(3-thienyl)methanone [(2S,6S)-2,6-dimethylpiperazin-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) 0.45 4.26 -51.64 2 3 1 37 225.337 1 ↓
    Mid Mid (pH 6-8) 0.45 2.93 -8.41 1 3 0 32 224.329 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(2R,6R)-2,6-dimethylpiperazin-1-yl]-(3-thienyl)methanone [(2R,6R)-2,6-dimethylpiperazin-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) 0.45 4.22 -49.26 2 3 1 37 225.337 1 ↓
    Mid Mid (pH 6-8) 0.45 2.88 -8.64 1 3 0 32 224.329 1 ↓

    Analogs

    16602293
    16602293

    Draw Identity 99% 90% 80% 70%


    Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

    Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

    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) 1.55 5.26 -8.75 0 3 0 24 252.383 3 ↓

    Analogs

    16605228
    16605228

    Draw Identity 99% 90% 80% 70%


    Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

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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) 0.60 3.66 -9.22 0 3 0 24 224.329 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(2S,6R)-2,6-dimethylpiperazin-1-yl]-(5-nitro-3-thienyl)methanone [(2S,6R)-2,6-dimethylpiperazin-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) 0.53 4.69 -55.34 2 6 1 83 270.334 2 ↓
    Mid Mid (pH 6-8) 0.53 3.38 -9.65 1 6 0 78 269.326 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(2S,6S)-2,6-dimethylpiperazin-1-yl]-(5-nitro-3-thienyl)methanone [(2S,6S)-2,6-dimethylpiperazin-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) 0.53 5.21 -62.93 2 6 1 83 270.334 2 ↓
    Mid Mid (pH 6-8) 0.53 3.88 -12.04 1 6 0 78 269.326 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(2R,6R)-2,6-dimethylpiperazin-1-yl]-(5-nitro-3-thienyl)methanone [(2R,6R)-2,6-dimethylpiperazin-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) 0.53 5.16 -58.69 2 6 1 83 270.334 2 ↓
    Mid Mid (pH 6-8) 0.53 3.82 -12.11 1 6 0 78 269.326 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) 2.09 6.42 -8.05 0 3 0 24 278.421 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) 1.82 5.8 -8.82 0 3 0 24 264.394 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) 2.33 6.57 -8.67 0 3 0 24 278.421 5 ↓

    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) 1.25 5.02 -9.08 0 3 0 24 250.367 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-bromo-3-thienyl)-[4-[(1R)-1-methylpropyl]piperazin-1-yl]methanone (5-bromo-3-thienyl)-[4-[(1R)-1-m…

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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) 2.52 7.7 -42.41 1 3 1 25 332.287 3 ↓
    Mid Mid (pH 6-8) 2.52 5.82 -8.06 0 3 0 24 331.279 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-bromo-3-thienyl)-[4-[(1S)-1-methylpropyl]piperazin-1-yl]methanone (5-bromo-3-thienyl)-[4-[(1S)-1-m…

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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) 2.52 7.72 -42.74 1 3 1 25 332.287 3 ↓
    Mid Mid (pH 6-8) 2.52 5.88 -7.78 0 3 0 24 331.279 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-ethoxy-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone 2-ethoxy-1-[4-(thiophene-3-carbo…

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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) 0.06 5.43 -18.06 0 5 0 50 282.365 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-iodo-3-thienyl)-(4-methylpiperazin-1-yl)methanone (5-iodo-3-thienyl)-(4-methylpipe…

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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) 1.59 4.08 -8.4 0 3 0 24 336.198 1 ↓
    Mid Mid (pH 6-8) 1.59 6.42 -46.21 1 3 1 25 337.206 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]thiophene-2-sulfonamide 4-[4-[(2S)-2-hydroxybutyl]pipera…

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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) -0.40 -3.03 -18.16 3 7 0 104 347.462 5 ↓
    Hi High (pH 8-9.5) -0.40 -2.55 -47.47 2 7 -1 101 346.454 5 ↓
    Lo Low (pH 4.5-6) -0.40 -0.77 -57.56 4 7 1 105 348.47 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[4-[(2R)-2-hydroxybutyl]piperazine-1-carbonyl]thiophene-2-sulfonamide 4-[4-[(2R)-2-hydroxybutyl]pipera…

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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) -0.40 -3.01 -17.49 3 7 0 104 347.462 5 ↓
    Hi High (pH 8-9.5) -0.40 -2.53 -47.71 2 7 -1 101 346.454 5 ↓
    Lo Low (pH 4.5-6) -0.40 -0.81 -56.75 4 7 1 105 348.47 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-bromo-3-thienyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone (5-bromo-3-thienyl)-[4-[(2S)-2-h…

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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) 1.05 1.87 -9.36 1 4 0 44 333.251 3 ↓
    Lo Low (pH 4.5-6) 1.05 4.15 -46.07 2 4 1 45 334.259 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-bromo-3-thienyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone (5-bromo-3-thienyl)-[4-[(2R)-2-h…

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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) 1.05 1.91 -9.98 1 4 0 44 333.251 3 ↓
    Lo Low (pH 4.5-6) 1.05 4.1 -46.05 2 4 1 45 334.259 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2,5-dimethyl-3-thienyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone (2,5-dimethyl-3-thienyl)-[4-[(2S…

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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) 1.06 3.5 -8.56 1 4 0 44 296.436 4 ↓
    Lo Low (pH 4.5-6) 1.06 5.77 -42.67 2 4 1 45 297.444 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2,5-dimethyl-3-thienyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone (2,5-dimethyl-3-thienyl)-[4-[(2R…

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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) 1.06 3.52 -9.3 1 4 0 44 296.436 4 ↓
    Lo Low (pH 4.5-6) 1.06 5.82 -43.57 2 4 1 45 297.444 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-bromo-3-thienyl)-[4-(2-hydroxy-2-methyl-propyl)piperazin-1-yl]methanone (5-bromo-3-thienyl)-[4-(2-hydrox…

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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) 1.49 3.61 -10.09 1 4 0 44 347.278 3 ↓
    Lo Low (pH 4.5-6) 1.49 5.24 -42.97 2 4 1 45 348.286 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2,5-dimethyl-3-thienyl)-[4-(2-hydroxy-2-methyl-propyl)piperazin-1-yl]methanone (2,5-dimethyl-3-thienyl)-[4-(2-h…

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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) 1.00 4.3 -9.16 1 4 0 44 296.436 3 ↓
    Lo Low (pH 4.5-6) 1.00 6.06 -41.06 2 4 1 45 297.444 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2,5-dimethyl-3-thienyl)-[4-[(2R)-3-ethoxy-2-hydroxy-propyl]piperazin-1-yl]methanone (2,5-dimethyl-3-thienyl)-[4-[(2R…

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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) 0.54 2.94 -10.35 1 5 0 53 326.462 6 ↓
    Lo Low (pH 4.5-6) 0.54 5.21 -45.09 2 5 1 54 327.47 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2,5-dimethyl-3-thienyl)-[4-[(2S)-3-ethoxy-2-hydroxy-propyl]piperazin-1-yl]methanone (2,5-dimethyl-3-thienyl)-[4-[(2S…

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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) 0.54 2.95 -11.51 1 5 0 53 326.462 6 ↓
    Lo Low (pH 4.5-6) 0.54 5.26 -46.31 2 5 1 54 327.47 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-bromo-3-thienyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone (5-bromo-3-thienyl)-[4-[(2S)-2-h…

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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) 1.55 2.7 -9.76 1 4 0 44 347.278 4 ↓
    Lo Low (pH 4.5-6) 1.55 4.97 -46.89 2 4 1 45 348.286 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-bromo-3-thienyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone (5-bromo-3-thienyl)-[4-[(2R)-2-h…

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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) 1.55 2.72 -9.29 1 4 0 44 347.278 4 ↓
    Lo Low (pH 4.5-6) 1.55 4.93 -46.79 2 4 1 45 348.286 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-amino-4-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one 4-amino-4-methyl-1-[4-(thiophene…

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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) 0.47 4.2 -54.15 3 5 1 68 310.443 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-oxo-2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethoxy]acetic 2-[2-oxo-2-[4-(thiophene-3-carbo…

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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) -1.06 5.84 -61.65 0 7 -1 90 311.339 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one 5-amino-1-[4-(thiophene-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) -0.44 4.02 -58.37 3 5 1 68 296.416 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4S)-4-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one (4S)-4-amino-1-[4-(thiophene-3-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) -0.55 3.94 -62.49 3 5 1 68 296.416 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4R)-4-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one (4R)-4-amino-1-[4-(thiophene-3-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) -0.55 3.94 -63.78 3 5 1 68 296.416 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-isobutyl-4-(thiophene-3-carbonyl)piperazine-1-carboxamide N-isobutyl-4-(thiophene-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) 1.71 5.5 -15.11 1 5 0 53 295.408 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-1-methylpropyl]-4-(thiophene-3-carbonyl)piperazine-1-carboxamide N-[(1R)-1-methylpropyl]-4-(thiop…

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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) 1.80 5.78 -12.82 1 5 0 53 295.408 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-1-methylpropyl]-4-(thiophene-3-carbonyl)piperazine-1-carboxamide N-[(1S)-1-methylpropyl]-4-(thiop…

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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) 1.80 5.77 -15.4 1 5 0 53 295.408 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-bromoallyl)-4-(thiophene-3-carbonyl)piperazine-1-carboxamide N-(2-bromoallyl)-4-(thiophene-3-…

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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) 1.70 5.16 -14.09 1 5 0 53 358.261 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2,5-dimethyl-3-thienyl)-(4-methylsulfonylpiperazin-1-yl)methanone (2,5-dimethyl-3-thienyl)-(4-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) 0.20 3.45 -14.41 0 5 0 58 302.421 2 ↓

    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) 1.84 5.34 -8.99 0 5 0 50 323.201 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2,5-dichloro-3-thienyl)-(4-methylsulfonylpiperazin-1-yl)methanone (2,5-dichloro-3-thienyl)-(4-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) 1.36 3.08 -15.15 0 5 0 58 343.257 2 ↓

    Analogs

    37501743
    37501743
    26935129
    26935129

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(5-bromothiophene-3-carbonyl)-N-ethyl-piperazine-1-carboxamide 4-(5-bromothiophene-3-carbonyl)-…

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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 4.71 -15.36 1 5 0 53 346.25 2 ↓

    Analogs

    38478314
    38478314
    44453518
    44453518
    44703685
    44703685
    48807353
    48807353
    60781068
    60781068

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone 2-amino-1-[4-(thiophene-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) -1.49 1.75 -58.85 3 5 1 68 254.335 2 ↓
    Hi High (pH 8-9.5) -1.49 1.35 -15.6 2 5 0 67 253.327 2 ↓

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