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

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(5-chloro-2,4-dimethoxy-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) 3.40 1.71 -13.95 1 7 0 90 385.854 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3,4,5-trimethoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(3,4,5-trimethoxyphenyl)-2,1,3…

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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) 2.38 1.59 -14.71 1 8 0 100 381.435 6 ↓
    Hi High (pH 8-9.5) 2.38 1.66 -45.54 0 8 -1 102 380.427 6 ↓

    Analogs

    14256773
    14256773
    16400471
    16400471

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(methylsulfamoyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide N-[4-(methylsulfamoyl)phenyl]-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) 1.82 -1.37 -17.09 2 8 0 118 384.464 5 ↓
    Hi High (pH 8-9.5) 1.82 -1.27 -48.27 1 8 -1 120 383.456 5 ↓

    Analogs

    26319448
    26319448

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(ethylsulfamoyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide N-[4-(ethylsulfamoyl)phenyl]-2,1…

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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) 2.19 -0.52 -16.65 2 8 0 118 398.491 6 ↓
    Hi High (pH 8-9.5) 2.19 -0.42 -47.84 1 8 -1 120 397.483 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide N-[4-(trifluoromethyl)phenyl]-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) 3.65 3.46 -11.52 1 5 0 72 359.354 4 ↓
    Hi High (pH 8-9.5) 3.65 3.57 -41.59 0 5 -1 74 358.346 4 ↓

    Analogs

    1038754
    1038754

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(difluoromethoxy)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide N-[4-(difluoromethoxy)phenyl]-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) 3.37 2.03 -13.96 1 6 0 81 357.363 5 ↓
    Hi High (pH 8-9.5) 3.37 2.13 -48.48 0 6 -1 83 356.355 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-iodophenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(4-iodophenyl)-2,1,3-benzothia…

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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 3.56 -10.83 1 5 0 72 417.253 3 ↓
    Hi High (pH 8-9.5) 3.83 3.67 -42.99 0 5 -1 74 416.245 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-bromophenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(2-bromophenyl)-2,1,3-benzothi…

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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) 3.51 3.2 -10.98 1 5 0 72 370.253 3 ↓
    Hi High (pH 8-9.5) 3.51 3.29 -43.51 0 5 -1 74 369.245 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-iodophenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(2-iodophenyl)-2,1,3-benzothia…

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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) 3.79 3.7 -10.55 1 5 0 72 417.253 3 ↓
    Hi High (pH 8-9.5) 3.79 3.77 -42.18 0 5 -1 74 416.245 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2,4-dibromophenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(2,4-dibromophenyl)-2,1,3-benz…

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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 3.94 -43.02 0 5 -1 74 448.141 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-bromo-2-fluoro-phenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(4-bromo-2-fluoro-phenyl)-2,1,…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.65 3.22 -10.08 1 5 0 72 388.243 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2,5-dimethylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(2,5-dimethylphenyl)-2,1,3-ben…

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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) 3.58 3.94 -11.79 1 5 0 72 319.411 3 ↓
    Hi High (pH 8-9.5) 3.58 4.01 -46.28 0 5 -1 74 318.403 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-chloro-4-methyl-phenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(3-chloro-4-methyl-phenyl)-2,1…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.81 3.57 -11.75 1 5 0 72 339.829 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-bromo-4-methyl-phenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(2-bromo-4-methyl-phenyl)-2,1,…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.94 3.87 -10.71 1 5 0 72 384.28 3 ↓
    Hi High (pH 8-9.5) 3.94 3.96 -43.92 0 5 -1 74 383.272 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-methoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(3-methoxyphenyl)-2,1,3-benzot…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.78 1.75 -13.33 1 6 0 81 321.383 4 ↓
    Hi High (pH 8-9.5) 2.78 1.85 -49.85 0 6 -1 83 320.375 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2,5-dimethoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(2,5-dimethoxyphenyl)-2,1,3-be…

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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) 2.79 1.14 -14.86 1 7 0 90 351.409 5 ↓
    Hi High (pH 8-9.5) 2.79 1.23 -52.66 0 7 -1 92 350.401 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(4-chloro-2,5-dimethoxy-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) 3.40 2.1 -11.04 1 7 0 90 385.854 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-fluoro-3-nitro-phenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(4-fluoro-3-nitro-phenyl)-2,1,…

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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) 2.80 3.36 -40.01 0 8 -1 120 353.336 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-chloro-4-fluoro-phenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(3-chloro-4-fluoro-phenyl)-2,1…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.52 3.02 -11.51 1 5 0 72 343.792 3 ↓

    Analogs

    43473899
    43473899

    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) 3.52 3.12 -10.12 1 5 0 72 343.792 3 ↓

    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) 2.68 2.57 -13.69 1 9 0 117 409.445 7 ↓
    Hi High (pH 8-9.5) 2.68 2.65 -50.16 0 9 -1 119 408.437 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-fluoro-4-methyl-phenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(3-fluoro-4-methyl-phenyl)-2,1…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.29 3.17 -12.31 1 5 0 72 323.374 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-bromo-2-chloro-phenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(4-bromo-2-chloro-phenyl)-2,1,…

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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) 4.17 3.81 -43.54 0 5 -1 74 403.69 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-bromo-3-methyl-phenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(4-bromo-3-methyl-phenyl)-2,1,…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.94 3.65 -11.01 1 5 0 72 384.28 3 ↓
    Hi High (pH 8-9.5) 3.94 3.75 -43.83 0 5 -1 74 383.272 3 ↓

    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) 2.90 3.39 -13.71 1 7 0 98 349.393 5 ↓
    Hi High (pH 8-9.5) 2.90 3.46 -46.61 0 7 -1 100 348.385 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-acetylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(3-acetylphenyl)-2,1,3-benzoth…

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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) 2.63 3.1 -15.21 1 6 0 89 333.394 4 ↓
    Hi High (pH 8-9.5) 2.63 3.18 -50.74 0 6 -1 91 332.386 4 ↓

    Analogs

    16400471
    16400471
    26319448
    26319448
    14225046
    14225046

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-sulfamoylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(4-sulfamoylphenyl)-2,1,3-benz…

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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) 1.45 -2.57 -18.02 3 8 0 132 370.437 4 ↓
    Hi High (pH 8-9.5) 1.45 -2.47 -48.34 2 8 -1 134 369.429 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)phenyl]acetamide N-[4-(2,1,3-benzothiadiazol-4-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) 1.97 1.35 -17.65 2 7 0 101 348.409 4 ↓
    Hi High (pH 8-9.5) 1.97 1.45 -53.35 1 7 -1 103 347.401 4 ↓

    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) 1.52 -0.42 -16.24 3 7 0 115 334.382 4 ↓
    Hi High (pH 8-9.5) 1.52 -0.35 -55.38 2 7 -1 117 333.374 4 ↓

    Analogs

    5332526
    5332526

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-chloro-3-nitro-phenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(4-chloro-3-nitro-phenyl)-2,1,…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.32 3.66 -39.36 0 8 -1 120 369.791 4 ↓

    Analogs

    39646681
    39646681

    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) 3.05 3.36 -13.87 1 7 0 98 349.393 5 ↓
    Hi High (pH 8-9.5) 3.05 3.43 -51.46 0 7 -1 100 348.385 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-methylsulfanylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(2-methylsulfanylphenyl)-2,1,3…

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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) 3.14 3.59 -11.89 1 5 0 72 337.451 4 ↓
    Hi High (pH 8-9.5) 3.14 3.68 -47.31 0 5 -1 74 336.443 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-fluoro-4-hydroxy-phenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(3-fluoro-4-hydroxy-phenyl)-2,…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.62 -0.17 -46.29 1 6 -1 94 324.338 3 ↓
    Mid Mid (pH 6-8) 2.62 -0.21 -13.88 2 6 0 92 325.346 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(hydroxymethyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide N-[4-(hydroxymethyl)phenyl]-2,1,…

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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) 2.09 -0.04 -53.78 1 6 -1 94 320.375 4 ↓
    Lo Low (pH 4.5-6) 2.09 -0.09 -13.46 2 6 0 92 321.383 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-hydroxy-2-methyl-phenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(3-hydroxy-2-methyl-phenyl)-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) 3.09 0.61 -50.18 1 6 -1 94 320.375 3 ↓
    Mid Mid (pH 6-8) 3.09 0.61 -12.27 2 6 0 92 321.383 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-hydroxy-4-methyl-phenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(3-hydroxy-4-methyl-phenyl)-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) 3.12 0.53 -51.88 1 6 -1 94 320.375 3 ↓
    Lo Low (pH 4.5-6) 3.12 0.73 -12.34 2 6 0 92 321.383 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-fluoro-2-hydroxy-phenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(5-fluoro-2-hydroxy-phenyl)-2,…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.62 -0.13 -50.68 1 6 -1 94 324.338 3 ↓
    Mid Mid (pH 6-8) 2.62 -0.12 -12.94 2 6 0 92 325.346 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-fluoro-4-hydroxy-phenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(2-fluoro-4-hydroxy-phenyl)-2,…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.36 -0.15 -50.01 1 6 -1 94 324.338 3 ↓
    Lo Low (pH 4.5-6) 2.36 -0.14 -12.35 2 6 0 92 325.346 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-chloro-3-hydroxy-phenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(4-chloro-3-hydroxy-phenyl)-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) 3.14 0.33 -46.56 1 6 -1 94 340.793 3 ↓
    Lo Low (pH 4.5-6) 3.14 0.29 -12.57 2 6 0 92 341.801 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-chloro-4-hydroxy-phenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(3-chloro-4-hydroxy-phenyl)-2,…

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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) 3.14 0.32 -46.48 1 6 -1 94 340.793 3 ↓
    Lo Low (pH 4.5-6) 3.14 0.28 -13.12 2 6 0 92 341.801 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-chloro-4-hydroxy-phenyl)-2,1,3-benzothiadiazole-4-sulfonamide N-(2-chloro-4-hydroxy-phenyl)-2,…

    Find On: PubMed — Wikipedia — Google

    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) 2.88 0.33 -47.36 1 6 -1 94 340.793 3 ↓
    Lo Low (pH 4.5-6) 2.88 0.34 -11.65 2 6 0 92 341.801 3 ↓

    Parameters Provided:

    ring.id = 232488
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 = 232488 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=232488&filter.purchasability=annotated

    Embed Link to Results

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