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

    21782034
    21782034

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-methoxy-4-(2-methoxyethoxy)-2-(2-naphthylsulfonylamino)benzoic 5-methoxy-4-(2-methoxyethoxy)-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) 3.44 -3.47 -53.23 1 8 -1 113 430.458 9 ↓
    Hi High (pH 8-9.5) 3.44 -3.03 -129.87 0 8 -2 116 429.45 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[5-(dimethylsulfamoyl)-2-ethylamino-phenyl]naphthalene-2-sulfonamide N-[5-(dimethylsulfamoyl)-2-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) 3.36 -8.35 -16.49 2 7 0 95 433.555 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N,N-dimethyl-4-(2-naphthylsulfonylamino)benzamide N,N-dimethyl-4-(2-naphthylsulfon…

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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) 2.85 6.58 -16.01 1 5 0 66 354.431 4 ↓
    Mid Mid (pH 6-8) 2.85 6.59 -51.82 0 5 -1 69 353.423 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[5-(diethylsulfamoyl)-2,3-dimethyl-phenyl]naphthalene-2-sulfonamide N-[5-(diethylsulfamoyl)-2,3-dime…

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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) 4.71 -5.96 -16.76 1 6 0 83 446.594 7 ↓
    Hi High (pH 8-9.5) 4.71 -5.5 -51.74 0 6 -1 85 445.586 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-chloro-4-methanesulfonamido-phenyl)naphthalene-2-sulfonamide N-(3-chloro-4-methanesulfonamido…

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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 4.03 -42.43 1 6 -1 94 409.896 5 ↓
    Mid Mid (pH 6-8) 3.73 4.07 -111.35 0 6 -2 96 408.888 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-ethyl-N-(4-fluorophenyl)naphthalene-2-sulfonamide N-ethyl-N-(4-fluorophenyl)naphth…

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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) 4.67 8.8 -9.89 0 3 0 37 329.396 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-(N'-acetylhydrazino)-3-oxo-propyl]-N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide N-[3-(N'-acetylhydrazino)-3-oxo-…

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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) 3.45 7.76 -16.59 2 7 0 96 439.537 7 ↓

    Analogs

    25453809
    25453809

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-methyl-4-(2-naphthylsulfonylamino)benzoic 3-methyl-4-(2-naphthylsulfonylam…

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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) 4.17 7 -55.63 1 5 -1 86 340.38 4 ↓
    Hi High (pH 8-9.5) 4.17 7.1 -105.25 0 5 -2 88 339.372 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-methyl-3-(2-naphthylsulfonylamino)phenyl]propanamide N-[2-methyl-3-(2-naphthylsulfony…

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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) 4.30 7.35 -15.05 2 5 0 75 368.458 5 ↓
    Hi High (pH 8-9.5) 4.30 7.42 -48.78 1 5 -1 77 367.45 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-chloro-2-(2-naphthylsulfonylamino)benzoic 5-chloro-2-(2-naphthylsulfonylam…

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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) 4.58 6.99 -50.47 1 5 -1 86 360.798 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-chloro-2-(2-naphthylsulfonylamino)benzoic 3-chloro-2-(2-naphthylsulfonylam…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.56 8.25 -132.7 0 5 -2 88 359.79 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-methylsulfanyl-4-(2-naphthylsulfonylamino)benzoic 3-methylsulfanyl-4-(2-naphthylsu…

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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) 4.16 7.33 -51.91 1 5 -1 86 372.447 5 ↓
    Hi High (pH 8-9.5) 4.16 7.43 -105.79 0 5 -2 88 371.439 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.81 8.99 -15.25 1 5 0 72 369.442 6 ↓
    Hi High (pH 8-9.5) 4.81 9.07 -50.89 0 5 -1 75 368.434 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-methoxy-2-sulfamoyl-phenyl)naphthalene-2-sulfonamide N-(5-methoxy-2-sulfamoyl-phenyl)…

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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 1.16 -52.38 2 7 -1 118 391.45 5 ↓
    Lo Low (pH 4.5-6) 2.56 1.22 -16.26 3 7 0 116 392.458 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4,5-difluoro-2-(2-naphthylsulfonylamino)benzoic 4,5-difluoro-2-(2-naphthylsulfon…

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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) 4.16 7.55 -42.09 1 5 -1 86 362.333 4 ↓
    Mid Mid (pH 6-8) 4.16 7.63 -115.84 0 5 -2 88 361.325 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(2-naphthylsulfonylamino)benzene-1,3-dicarboxylic 5-(2-naphthylsulfonylamino)benze…

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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) 3.64 -4.18 -116.73 1 7 -2 126 369.354 5 ↓
    Hi High (pH 8-9.5) 3.64 -3.61 -195.87 0 7 -3 128 368.346 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N,N-diethyl-2-(2-naphthylsulfonylamino)benzamide N,N-diethyl-2-(2-naphthylsulfony…

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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) 3.56 8.74 -59.1 0 5 -1 69 381.477 6 ↓
    Mid Mid (pH 6-8) 3.56 8.69 -14.56 1 5 0 66 382.485 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-diethylaminoethyl 2-diethylaminoethyl

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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) 4.84 11.05 -63.19 1 6 0 79 426.538 10 ↓
    Mid Mid (pH 6-8) 4.84 11.04 -44.64 2 6 1 77 427.546 10 ↓

    Analogs

    5933327
    5933327

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3,5-difluorophenyl)naphthalene-2-sulfonamide N-(3,5-difluorophenyl)naphthalen…

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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) 4.14 6.73 -9.21 1 3 0 46 319.332 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.91 9.76 -14.01 1 7 0 99 427.478 9 ↓
    Hi High (pH 8-9.5) 4.91 9.82 -48.89 0 7 -1 101 426.47 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2,5-difluorophenyl)naphthalene-2-sulfonamide N-(2,5-difluorophenyl)naphthalen…

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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) 4.14 6.78 -9.54 1 3 0 46 319.332 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[(6-methyl-2-naphthyl)sulfonylamino]phenyl]acetamide N-[4-[(6-methyl-2-naphthyl)sulfo…

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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) 3.53 -3.86 -16.84 2 5 0 75 354.431 4 ↓
    Hi High (pH 8-9.5) 3.53 -3.28 -53.71 1 5 -1 77 353.423 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-[methyl(2-naphthylsulfonyl)amino]phenyl] [4-[methyl(2-naphthylsulfonyl)am…

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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) 4.91 11.07 -13.17 0 5 0 64 383.469 7 ↓

    Analogs

    6706758
    6706758

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-naphthylsulfonylamino)-N-propyl-benzamide 3-(2-naphthylsulfonylamino)-N-pr…

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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) 3.93 6.61 -15.02 2 5 0 75 368.458 6 ↓
    Mid Mid (pH 6-8) 3.93 6.62 -53.71 1 5 -1 77 367.45 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-methyl-5-sulfamoyl-phenyl)naphthalene-2-sulfonamide N-(2-methyl-5-sulfamoyl-phenyl)n…

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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) 2.96 2.38 -18.86 3 6 0 106 376.459 4 ↓
    Mid Mid (pH 6-8) 2.96 2.46 -55.29 2 6 -1 108 375.451 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N,N,4-trimethyl-3-(2-naphthylsulfonylamino)benzamide N,N,4-trimethyl-3-(2-naphthylsul…

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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) 3.23 6.98 -20.79 1 5 0 66 368.458 4 ↓
    Mid Mid (pH 6-8) 3.23 7.33 -63.06 0 5 -1 69 367.45 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-ethyl-4-methyl-3-(2-naphthylsulfonylamino)benzamide N-ethyl-4-methyl-3-(2-naphthylsu…

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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) 3.83 6.51 -18.84 2 5 0 75 368.458 5 ↓
    Mid Mid (pH 6-8) 3.83 6.6 -62.93 1 5 -1 77 367.45 5 ↓

    Analogs

    55615072
    55615072

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-fluoro-4-methyl-5-(2-naphthylsulfonylamino)benzamide 3-fluoro-4-methyl-5-(2-naphthyls…

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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) 3.17 4.21 -15.87 3 5 0 89 358.394 4 ↓
    Mid Mid (pH 6-8) 3.17 4.29 -54.25 2 5 -1 91 357.386 4 ↓
    Mid Mid (pH 6-8) 3.37 2.1 -11.18 3 5 0 90 358.394 4 ↓

    Analogs

    39975113
    39975113
    39982962
    39982962

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-ethyl-4-(2-naphthylsulfonylamino)benzamide N-ethyl-4-(2-naphthylsulfonylami…

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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 5.84 -15.65 2 5 0 75 354.431 5 ↓
    Mid Mid (pH 6-8) 3.46 5.86 -51.38 1 5 -1 77 353.423 5 ↓

    Analogs

    7050874
    7050874
    7109322
    7109322

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-ethoxy-4-methoxy-phenyl)naphthalene-2-sulfonamide N-(3-ethoxy-4-methoxy-phenyl)nap…

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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) 3.91 6.81 -12.13 1 5 0 65 357.431 6 ↓
    Hi High (pH 8-9.5) 3.91 6.85 -49.38 0 5 -1 67 356.423 6 ↓

    Analogs

    26547170
    26547170

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-(2-ethoxyethoxymethyl)phenyl]naphthalene-2-sulfonamide N-[3-(2-ethoxyethoxymethyl)pheny…

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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) 3.99 7.64 -12.23 1 5 0 65 385.485 9 ↓
    Mid Mid (pH 6-8) 3.99 7.66 -53.44 0 5 -1 67 384.477 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(ethylsulfonylamino)phenyl]naphthalene-2-sulfonamide N-[4-(ethylsulfonylamino)phenyl]…

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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) 3.50 4.37 -45.15 1 6 -1 94 389.478 6 ↓
    Hi High (pH 8-9.5) 3.50 4.4 -116.22 0 6 -2 96 388.47 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-(3-cyanopropoxy)phenyl]naphthalene-2-sulfonamide N-[3-(3-cyanopropoxy)phenyl]naph…

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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) 3.65 8.14 -17.95 1 5 0 79 366.442 7 ↓
    Mid Mid (pH 6-8) 3.65 8.27 -55.68 0 5 -1 81 365.434 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(2-naphthylsulfonylamino)phenyl]methylurea [4-(2-naphthylsulfonylamino)phen…

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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) 2.72 2.81 -15.7 4 6 0 101 355.419 5 ↓
    Mid Mid (pH 6-8) 2.72 2.95 -50.87 3 6 -1 103 354.411 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-ethyl-3-[3-(2-naphthylsulfonylamino)phenyl]urea 1-ethyl-3-[3-(2-naphthylsulfonyl…

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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) 3.75 5.11 -16.07 3 6 0 87 369.446 5 ↓
    Mid Mid (pH 6-8) 3.75 5.13 -60.92 2 6 -1 89 368.438 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-ethyl-3-sulfamoyl-phenyl)naphthalene-2-sulfonamide N-(4-ethyl-3-sulfamoyl-phenyl)na…

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    Activity (Go SEA)

    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) 3.42 3.23 -15.89 3 6 0 106 390.486 5 ↓
    Mid Mid (pH 6-8) 3.42 3.05 -53.16 2 6 -1 108 389.478 5 ↓

    Parameters Provided:

    ring.id = 9949
filter.purchasability = annotated
page.format = targets
page.num = 1

    Structural Results Found: (before additional filtering)

    SQL Query Was

    SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 9949 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=9949&filter.purchasability=annotated

    Embed Link to Results

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