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    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-bromo-2-thienyl)-(4-prop-2-ynylpiperazin-1-yl)methanone (5-bromo-2-thienyl)-(4-prop-2-yn…

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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) 2.26 4.87 -6.48 0 3 0 24 313.22 2 ↓
    Lo Low (pH 4.5-6) 2.26 7.16 -45.26 1 3 1 25 314.228 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) 1.96 4.55 -8.48 0 5 0 50 347.234 4 ↓
    Lo Low (pH 4.5-6) 1.96 6.72 -48.79 1 5 1 51 348.242 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(5-bromothiophene-2-carbonyl)piperazine-1-sulfonamide 4-(5-bromothiophene-2-carbonyl)p…

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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) 0.86 -0.03 -12.12 2 6 0 84 354.251 2 ↓
    Hi High (pH 8-9.5) 0.86 0.46 -38.32 1 6 -1 81 353.243 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) 1.95 4.83 -8.65 0 5 0 50 333.207 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [5-(3-hydroxyprop-1-ynyl)-2-thienyl]-(4-methylpiperazin-1-yl)methanone [5-(3-hydroxyprop-1-ynyl)-2-thie…

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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) 0.97 1.83 -10.21 1 4 0 44 264.35 1 ↓
    Mid Mid (pH 6-8) 0.97 4.22 -47.2 2 4 1 45 265.358 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [5-(4-hydroxybut-1-ynyl)-2-thienyl]-(4-methylpiperazin-1-yl)methanone [5-(4-hydroxybut-1-ynyl)-2-thien…

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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) 1.24 2.61 -8.54 1 4 0 44 278.377 2 ↓
    Mid Mid (pH 6-8) 1.24 4.99 -46.07 2 4 1 45 279.385 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-[5-(3-hydroxyprop-1-ynyl)thiophene-2-carbonyl]piperazin-1-yl]ethanone 1-[4-[5-(3-hydroxyprop-1-ynyl)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) 0.33 3.26 -14.94 1 5 0 61 292.36 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-[5-(4-hydroxybut-1-ynyl)thiophene-2-carbonyl]piperazin-1-yl]ethanone 1-[4-[5-(4-hydroxybut-1-ynyl)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) 0.61 3.97 -13.04 1 5 0 61 306.387 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(2-hydroxyethyl)piperazin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-2-thienyl]methanone [4-(2-hydroxyethyl)piperazin-1-y…

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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) 0.34 -0.64 -11.95 2 5 0 64 294.376 3 ↓
    Lo Low (pH 4.5-6) 0.34 1.6 -46.41 3 5 1 65 295.384 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [5-(4-hydroxybut-1-ynyl)-2-thienyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone [5-(4-hydroxybut-1-ynyl)-2-thien…

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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) 0.61 0.14 -10.27 2 5 0 64 308.403 4 ↓
    Lo Low (pH 4.5-6) 0.61 2.38 -44.35 3 5 1 65 309.411 4 ↓

    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) 0.66 2.55 -11.77 2 6 0 76 297.38 4 ↓
    Lo Low (pH 4.5-6) 0.66 2.33 -51.06 3 6 1 77 298.388 4 ↓
    Lo Low (pH 4.5-6) 0.66 4.48 -100.21 4 6 2 79 299.396 4 ↓

    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) 0.44 1.84 -12.34 2 6 0 76 283.353 4 ↓
    Lo Low (pH 4.5-6) 0.44 4 -44 3 6 1 77 284.361 4 ↓
    Lo Low (pH 4.5-6) 0.44 1.75 -41.9 3 6 1 77 284.361 4 ↓

    Analogs

    40321897
    40321897

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-(4-amino-5-methyl-thiophene-2-carbonyl)piperazin-1-yl]-N,N-dimethyl-acetamide 2-[4-(4-amino-5-methyl-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) -0.29 2.04 -14.06 2 6 0 70 310.423 3 ↓
    Mid Mid (pH 6-8) -0.29 4.19 -48.63 3 6 1 71 311.431 3 ↓
    Lo Low (pH 4.5-6) -0.29 3.98 -100.97 4 6 2 73 312.439 3 ↓

    Analogs

    40321899
    40321899

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-(3-aminothiophene-2-carbonyl)piperazin-1-yl]-N,N-dimethyl-acetamide 2-[4-(3-aminothiophene-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) -0.51 1.32 -14.98 2 6 0 70 296.396 3 ↓
    Mid Mid (pH 6-8) -0.51 3.51 -43.75 3 6 1 71 297.404 3 ↓
    Lo Low (pH 4.5-6) -0.51 3.4 -98.16 4 6 2 73 298.412 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-(3-aminothiophene-2-carbonyl)piperazin-1-yl]-N-propyl-acetamide 2-[4-(3-aminothiophene-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) 1.06 1.04 -14.32 3 6 0 79 310.423 5 ↓
    Mid Mid (pH 6-8) 1.06 3.21 -44.28 4 6 1 80 311.431 5 ↓
    Lo Low (pH 4.5-6) 1.06 3.09 -98.36 5 6 2 81 312.439 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-amino-5-methyl-2-thienyl)-(4-methylsulfonylpiperazin-1-yl)methanone (4-amino-5-methyl-2-thienyl)-(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) 0.17 0.6 -14.02 2 6 0 84 303.409 2 ↓
    Lo Low (pH 4.5-6) 0.17 0.39 -53.57 3 6 1 85 304.417 2 ↓

    Analogs

    7899765
    7899765

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-chloro-2-thienyl)-piperazin-1-yl-methanone (5-chloro-2-thienyl)-piperazin-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) 1.37 3.57 -51.61 2 3 1 37 231.728 1 ↓
    Mid Mid (pH 6-8) 1.37 2.28 -6.34 1 3 0 32 230.72 1 ↓

    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) 0.65 2.83 -9.96 2 6 0 76 283.353 2 ↓
    Lo Low (pH 4.5-6) 0.65 2.63 -49.74 3 6 1 77 284.361 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) 0.43 2.09 -11.23 2 6 0 76 269.326 2 ↓
    Lo Low (pH 4.5-6) 0.43 2.02 -43.76 3 6 1 77 270.334 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(4-amino-5-methyl-thiophene-2-carbonyl)piperazine-1-sulfonamide 4-(4-amino-5-methyl-thiophene-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) -0.44 -2.04 -13.59 4 7 0 110 304.397 2 ↓
    Hi High (pH 8-9.5) -0.44 -1.55 -41.29 3 7 -1 107 303.389 2 ↓
    Lo Low (pH 4.5-6) -0.44 -2.24 -53.69 5 7 1 111 305.405 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(3-aminothiophene-2-carbonyl)piperazine-1-sulfonamide 4-(3-aminothiophene-2-carbonyl)p…

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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) -0.66 -2.72 -13.98 4 7 0 110 290.37 2 ↓
    Hi High (pH 8-9.5) -0.66 -2.24 -42.53 3 7 -1 107 289.362 2 ↓
    Lo Low (pH 4.5-6) -0.66 -2.9 -46.42 5 7 1 111 291.378 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-aminopiperazin-1-yl)-(2-thienyl)methanone (4-aminopiperazin-1-yl)-(2-thien…

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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 1.45 -8.7 2 4 0 50 211.29 1 ↓
    Mid Mid (pH 6-8) 0.55 1.27 -51.4 3 4 1 51 212.298 1 ↓

    Analogs

    42411079
    42411079

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-ethyl-2-thienyl)-(4-methylpiperazin-1-yl)methanone (3-ethyl-2-thienyl)-(4-methylpip…

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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) 2.01 4.33 -7.37 0 3 0 24 238.356 2 ↓
    Mid Mid (pH 6-8) 2.01 6.69 -43.57 1 3 1 25 239.364 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(4-isobutylpiperazine-1-carbonyl)thiophene-2-carboxylic 5-(4-isobutylpiperazine-1-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) 2.10 6.18 -43.7 0 5 -1 64 295.384 4 ↓
    Mid Mid (pH 6-8) 2.10 8.06 -69.6 1 5 0 65 296.392 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-bromo-2-thienyl)-[4-(2-dimethylaminoethyl)piperazin-1-yl]methanone (5-bromo-2-thienyl)-[4-(2-dimeth…

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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) 2.13 5.64 -43.42 1 4 1 28 347.302 4 ↓
    Hi High (pH 8-9.5) 2.13 3.15 -6.11 0 4 0 27 346.294 4 ↓

    Analogs

    37827847
    37827847
    37831129
    37831129

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]but-2-enoic (E)-4-oxo-4-[4-(thiophene-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) 0.25 5.5 -48.13 0 6 -1 81 293.324 3 ↓

    Analogs

    55250732
    55250732
    16695382
    16695382

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanenitrile 2-methyl-2-[4-(thiophene-2-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) 1.76 4.12 -10.15 0 4 0 47 263.366 2 ↓
    Lo Low (pH 4.5-6) 1.76 6.16 -47.73 1 4 1 49 264.374 2 ↓

    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) 3.29 6.39 -9.27 0 5 0 50 426.13 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]prop-2-en-1-one 1-[4-(thiophene-2-carbonyl)piper…

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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) 1.13 4.71 -14.13 0 4 0 41 250.323 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    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) 2.84 6.02 -7.13 0 3 0 24 266.41 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-methylpiperazin-1-yl)(thiophen-2-yl)methanone hydrochloride (3-methylpiperazin-1-yl)(thiophe…

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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 3.66 -47.87 2 3 1 37 211.31 1 ↓
    Mid Mid (pH 6-8) 1.25 2.43 -8.04 1 3 0 32 210.302 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-methylpiperazin-1-yl)(thiophen-2-yl)methanone hydrochloride (3-methylpiperazin-1-yl)(thiophe…

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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 3.61 -49.32 2 3 1 37 211.31 1 ↓
    Mid Mid (pH 6-8) 1.25 2.38 -8.64 1 3 0 32 210.302 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-3-chloro-2-methyl-1-[4-(thiophene-2-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) 1.84 6.04 -12.96 0 4 0 41 300.811 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-3-chloro-2-methyl-1-[4-(thiophene-2-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) 1.84 6.08 -12.42 0 4 0 41 300.811 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(2R,5R)-2,5-dimethylpiperazin-1-yl]-(2-thienyl)methanone [(2R,5R)-2,5-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) 1.58 4.39 -47.94 2 3 1 37 225.337 1 ↓
    Mid Mid (pH 6-8) 1.58 3.12 -8.6 1 3 0 32 224.329 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(2S,5R)-2,5-dimethylpiperazin-1-yl]-(2-thienyl)methanone [(2S,5R)-2,5-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) 1.58 4.25 -47.84 2 3 1 37 225.337 1 ↓
    Mid Mid (pH 6-8) 1.58 3.01 -7.08 1 3 0 32 224.329 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(2R,5S)-2,5-dimethylpiperazin-1-yl]-(2-thienyl)methanone [(2R,5S)-2,5-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) 1.58 4.21 -48.29 2 3 1 37 225.337 1 ↓
    Mid Mid (pH 6-8) 1.58 2.98 -7.02 1 3 0 32 224.329 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(2S,5S)-2,5-dimethylpiperazin-1-yl]-(2-thienyl)methanone [(2S,5S)-2,5-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) 1.58 4.4 -48.09 2 3 1 37 225.337 1 ↓
    Mid Mid (pH 6-8) 1.58 3.27 -8.01 1 3 0 32 224.329 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2,2-dimethylpiperazin-1-yl)-(2-thienyl)methanone (2,2-dimethylpiperazin-1-yl)-(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) 1.38 4.29 -51.55 2 3 1 37 225.337 1 ↓
    Mid Mid (pH 6-8) 1.38 2.93 -7.61 1 3 0 32 224.329 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-methoxyethyl)-4-(5-methylthiophene-2-carbonyl)piperazine-1-carboxamide N-(2-methoxyethyl)-4-(5-methylth…

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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) 1.57 3.88 -12.05 1 6 0 62 311.407 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-isobutyl-4-(5-methylthiophene-2-carbonyl)piperazine-1-carboxamide N-isobutyl-4-(5-methylthiophene-…

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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 6.31 -11.39 1 5 0 53 309.435 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-1-methylhexyl]-4-(5-methylthiophene-2-carbonyl)piperazine-1-carboxamide N-[(1R)-1-methylhexyl]-4-(5-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) 4.37 8.91 -11.53 1 5 0 53 351.516 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-1-methylhexyl]-4-(5-methylthiophene-2-carbonyl)piperazine-1-carboxamide N-[(1S)-1-methylhexyl]-4-(5-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) 4.37 8.9 -13.75 1 5 0 53 351.516 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(dimethylamino)-2-oxo-ethyl]-4-(5-methylthiophene-2-carbonyl)piperazine-1-carboxamide N-[2-(dimethylamino)-2-oxo-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) 0.50 4.35 -13.99 1 7 0 73 338.433 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: tert-butyl tert-butyl

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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 5.6 -17.61 1 7 0 79 381.498 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(3-ethylthiophene-2-carbonyl)piperazin-1-yl]-3,3,3-trifluoro-propan-1-one 1-[4-(3-ethylthiophene-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) 2.53 6.96 -14.09 0 4 0 41 334.363 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-ethoxy-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone 2-ethoxy-1-[4-(thiophene-2-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) 0.85 5.41 -17.24 0 5 0 50 282.365 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide (2R)-N-[(1R)-1-cyano-1,2-dimethy…

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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) 1.94 4.54 -16.32 1 6 0 76 362.499 5 ↓

    Analogs

    41385589
    41385589

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(ethylamino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one 3-(ethylamino)-1-[4-(thiophene-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) 0.57 5.14 -55.68 2 5 1 57 296.416 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(ethylamino)-2-methyl-1-[4-(thiophene-2-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) 1.46 5.15 -45.49 2 5 1 57 310.443 4 ↓
    Hi High (pH 8-9.5) 1.46 5.07 -11.34 1 5 0 53 309.435 4 ↓

    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=4122&filter.purchasability=annotated

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