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    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-4-fluoro-benzamide N-[5-(2-ethoxyethyl)-1,3,4-thiad…

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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) 1.98 5.79 -14.3 1 5 0 64 295.339 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-4-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-benzamide 2-chloro-4-nitro-N-(5-pentyl-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) 3.96 9.24 -17.47 1 7 0 101 354.819 7 ↓

    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) 2.94 2.32 -14.44 1 4 0 54 325.674 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-methoxyethoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide 2-(2-methoxyethoxy)-N-(5-pentyl-…

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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) 3.85 8.68 -20.89 1 6 0 73 349.456 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-acetamido-2-fluoro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide 5-acetamido-2-fluoro-N-(5-pentyl…

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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 7 -22.75 2 6 0 84 350.419 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-acetamido-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-benzamide 5-acetamido-N-[5-(1-ethylpropyl)…

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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) 2.31 6.56 -22.79 2 6 0 84 350.419 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethoxy)benzamide N-[5-(1-ethylpropyl)-1,3,4-thiad…

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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 8.25 -21.1 1 6 0 73 349.456 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyethoxy)benzamide N-[5-(1-ethylpropyl)-1,3,4-thiad…

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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) 2.93 7.07 -20.16 1 6 0 73 349.456 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,4-dichloro-benzamide N-(5-butyl-1,3,4-thiadiazol-2-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) 4.18 -0.09 -15.21 1 4 0 55 330.24 5 ↓

    Analogs

    41018129
    41018129
    4107158
    4107158
    8734611
    8734611

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetic 2-[(5-benzamido-1,3,4-thiadiazol…

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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) 1.51 6.08 -51.78 1 6 -1 95 294.337 5 ↓
    Hi High (pH 8-9.5) 1.58 4.42 -101.44 0 6 -2 101 293.329 5 ↓

    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 7.76 -16.37 1 8 0 107 381.435 9 ↓
    Hi High (pH 8-9.5) 2.74 6.06 -43.95 0 8 -1 114 380.427 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide 4-(2-amino-2-oxo-ethoxy)-3-chlor…

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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 -2.33 -21.27 3 8 0 116 384.845 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(dimethylsulfamoyl)-N-[5-[2-(hydroxyamino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide 4-(dimethylsulfamoyl)-N-[5-[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) 0.37 -7.39 -26.39 3 10 0 142 417.494 7 ↓
    Hi High (pH 8-9.5) 0.37 -6.83 -63.59 2 10 -1 144 416.486 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-3-methanesulfonamido-4-methyl-benzamide N-[5-(1-ethylpropyl)-1,3,4-thiad…

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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) 2.61 5.05 -25.81 2 7 0 101 382.511 7 ↓
    Hi High (pH 8-9.5) 2.61 5.13 -54.85 1 7 -1 103 381.503 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(ethylsulfamoyl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-methyl-benzamide 5-(ethylsulfamoyl)-N-(5-isopropy…

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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) 2.14 3.98 -17.44 2 7 0 101 368.484 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-amino-3-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide 4-amino-3-nitro-N-(1,3,4-thiadia…

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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) 0.91 2.88 -27.38 3 8 0 127 265.254 3 ↓
    Hi High (pH 8-9.5) 0.98 1.98 -48.05 2 8 -1 133 264.246 3 ↓

    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) 1.85 3.27 -20.03 2 7 0 93 292.32 5 ↓
    Hi High (pH 8-9.5) 1.92 2.37 -48.67 1 7 -1 100 291.312 5 ↓

    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) 2.14 4.53 -21.61 2 7 0 93 334.401 6 ↓
    Hi High (pH 8-9.5) 2.21 3.64 -46.11 1 7 -1 100 333.393 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-methanesulfonamidoethyl)-N-(1,3,4-thiadiazol-2-yl)benzamide 4-(2-methanesulfonamidoethyl)-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) 0.88 1.81 -30.06 2 7 0 101 326.403 6 ↓
    Hi High (pH 8-9.5) 0.95 0.91 -55.37 1 7 -1 107 325.395 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-methyl-benzamide N-(5-ethyl-1,3,4-thiadiazol-2-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) 2.75 4.81 -21.71 2 5 0 75 263.322 3 ↓
    Hi High (pH 8-9.5) 2.26 3.9 -55.77 1 5 -1 81 262.314 3 ↓
    Hi High (pH 8-9.5) 2.75 5.83 -64.32 1 5 -1 78 262.314 3 ↓

    Analogs

    26557539
    26557539

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide 4-amino-N-(5-butyl-1,3,4-thiadia…

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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 5.7 -26.74 3 8 0 127 321.362 6 ↓
    Hi High (pH 8-9.5) 2.33 4.79 -50.07 2 8 -1 133 320.354 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-hydroxy-benzamide N-(5-butyl-1,3,4-thiadiazol-2-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) 4.04 6.2 -19.95 2 5 0 75 311.794 5 ↓
    Hi High (pH 8-9.5) 3.56 6.31 -119.33 0 5 -2 84 309.778 5 ↓
    Mid Mid (pH 6-8) 4.04 7.23 -56.09 1 5 -1 78 310.786 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-methoxy-benzamide 3-bromo-N-(5-butyl-1,3,4-thiadia…

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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) 3.69 7.19 -20.18 1 5 0 64 370.272 6 ↓
    Hi High (pH 8-9.5) 3.76 6.29 -45.24 0 5 -1 70 369.264 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-[(isopropylcarbamoylamino)methyl]benzamide N-(5-butyl-1,3,4-thiadiazol-2-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) 2.78 6.48 -24.87 3 7 0 96 375.498 8 ↓
    Hi High (pH 8-9.5) 2.84 5.59 -51.49 2 7 -1 102 374.49 8 ↓

    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) 3.76 7.39 -27.09 2 7 0 93 376.482 8 ↓
    Mid Mid (pH 6-8) 3.83 6.49 -60.03 1 7 -1 100 375.474 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxy-5-nitro-benzamide N-(5-butyl-1,3,4-thiadiazol-2-yl…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.39 8.41 -18.79 1 8 0 110 336.373 7 ↓
    Mid Mid (pH 6-8) 2.91 7.49 -49.56 0 8 -1 116 335.365 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3,5-dichloro-4-methoxy-benzamide N-(5-butyl-1,3,4-thiadiazol-2-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) 4.16 7.73 -15.39 1 5 0 64 360.266 6 ↓
    Hi High (pH 8-9.5) 4.23 6.82 -39.98 0 5 -1 70 359.258 6 ↓

    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) 3.18 6.3 -28.32 2 7 0 93 348.428 8 ↓
    Mid Mid (pH 6-8) 3.25 5.4 -60.42 1 7 -1 100 347.42 8 ↓

    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) 3.20 6.31 -19.27 2 7 0 93 348.428 8 ↓
    Mid Mid (pH 6-8) 3.27 5.41 -50.77 1 7 -1 100 347.42 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxy-2-nitro-benzamide N-(5-butyl-1,3,4-thiadiazol-2-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) 2.61 8.32 -28.14 1 10 0 128 396.425 9 ↓
    Mid Mid (pH 6-8) 2.68 7.4 -50.68 0 10 -1 135 395.417 9 ↓

    Analogs

    34964956
    34964956
    16723293
    16723293

    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) 3.49 7.57 -20.84 2 7 0 93 390.509 9 ↓
    Hi High (pH 8-9.5) 3.56 6.67 -48.08 1 7 -1 100 389.501 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide N-(5-butyl-1,3,4-thiadiazol-2-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) 1.93 3.25 -29.49 2 9 0 120 428.536 11 ↓
    Hi High (pH 8-9.5) 2.00 2.35 -56.2 1 9 -1 126 427.528 11 ↓

    Analogs

    23360521
    23360521
    26557568
    26557568

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-(isopropylsulfamoyl)-2-methyl-benzamide N-(5-butyl-1,3,4-thiadiazol-2-yl…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.01 5.56 -19.75 2 7 0 101 396.538 8 ↓
    Mid Mid (pH 6-8) 3.08 4.64 -50.8 1 7 -1 107 395.53 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-sulfamoyl-benzamide N-(5-butyl-1,3,4-thiadiazol-2-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) 1.96 2.75 -22.27 3 7 0 115 354.457 6 ↓
    Mid Mid (pH 6-8) 2.03 1.83 -55.53 2 7 -1 121 353.449 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methanesulfonamido-benzamide N-(5-butyl-1,3,4-thiadiazol-2-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) 2.10 3.99 -23.21 2 7 0 101 354.457 7 ↓
    Hi High (pH 8-9.5) 2.17 3.16 -98.12 0 7 -2 109 352.441 7 ↓
    Mid Mid (pH 6-8) 2.10 4.07 -51.28 1 7 -1 103 353.449 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-(isopropylsulfamoyl)benzamide N-(5-butyl-1,3,4-thiadiazol-2-yl…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.24 5.46 -21.01 2 7 0 101 416.956 8 ↓
    Mid Mid (pH 6-8) 3.31 4.55 -49.72 1 7 -1 107 415.948 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(difluoromethoxy)benzamide N-(5-butyl-1,3,4-thiadiazol-2-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) 4.01 7.99 -20.57 1 5 0 64 327.356 7 ↓
    Mid Mid (pH 6-8) 3.53 7.08 -49.36 0 5 -1 70 326.348 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,5-dimethoxy-benzamide 3-bromo-N-(5-butyl-1,3,4-thiadia…

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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) 4.22 7.72 -16.93 1 6 0 73 400.298 7 ↓
    Mid Mid (pH 6-8) 3.74 6.81 -46.18 0 6 -1 80 399.29 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-methylsulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide 3-methylsulfonyl-N-(5-propyl-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) 1.18 3.98 -24.82 1 6 0 89 325.415 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,5-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide 3,5-dimethyl-N-(5-propyl-1,3,4-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) 3.16 7.73 -16.65 1 4 0 55 275.377 4 ↓
    Hi High (pH 8-9.5) 3.23 6.83 -48.83 0 4 -1 61 274.369 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methoxy-5-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide 2-methoxy-5-nitro-N-(5-propyl-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) 2.83 7.63 -18.74 1 8 0 110 322.346 6 ↓
    Mid Mid (pH 6-8) 2.35 6.71 -49.55 0 8 -1 116 321.338 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-fluoro-4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide 3-fluoro-4-methyl-N-(5-propyl-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) 2.87 7.12 -19.41 1 4 0 55 279.34 4 ↓
    Mid Mid (pH 6-8) 2.94 6.21 -45.83 0 4 -1 61 278.332 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-hydrazino-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide 3-hydrazino-4-nitro-N-(1,3,4-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) 0.67 2.7 -17.85 4 9 0 139 280.269 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-fluoro-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide 3-fluoro-4-nitro-N-(1,3,4-thiadi…

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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) 1.60 4.92 -17.05 1 7 0 101 268.229 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methyl-5-methylsulfanyl-N-(1,3,4-thiadiazol-2-yl)benzamide 2-methyl-5-methylsulfanyl-N-(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) 2.36 5.89 -15.13 1 4 0 55 265.363 3 ↓
    Hi High (pH 8-9.5) 2.42 4.99 -45.84 0 4 -1 61 264.355 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(ethylsulfonylamino)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide 3-(ethylsulfonylamino)-N-(5-pent…

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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) 2.98 5.67 -22.57 2 7 0 101 382.511 9 ↓
    Hi High (pH 8-9.5) 3.05 4.84 -99.2 0 7 -2 109 380.495 9 ↓
    Mid Mid (pH 6-8) 2.98 5.74 -52.13 1 7 -1 103 381.503 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxy-4-propoxy-benzamide 3-bromo-N-(5-butyl-1,3,4-thiadia…

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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) 4.35 8.93 -15.41 1 6 0 73 428.352 9 ↓
    Hi High (pH 8-9.5) 4.42 8.02 -42.28 0 6 -1 80 427.344 9 ↓

    Analogs

    16722579
    16722579

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-ethoxy-5-methoxy-benzamide N-(5-butyl-1,3,4-thiadiazol-2-yl…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.72 8.03 -15.82 1 6 0 73 369.874 8 ↓
    Hi High (pH 8-9.5) 3.79 7.12 -42.35 0 6 -1 80 368.866 8 ↓

    Analogs

    23363056
    23363056
    25445173
    25445173

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxy-4-propoxy-benzamide N-(5-butyl-1,3,4-thiadiazol-2-yl…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.79 9.09 -19.7 1 6 0 73 363.483 10 ↓
    Hi High (pH 8-9.5) 3.86 8.19 -46.71 0 6 -1 80 362.475 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-methyl-benzamide N-(5-butyl-1,3,4-thiadiazol-2-yl…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.81 6.36 -21.26 2 5 0 75 291.376 5 ↓
    Hi High (pH 8-9.5) 3.33 5.44 -55.51 1 5 -1 81 290.368 5 ↓
    Hi High (pH 8-9.5) 3.81 7.38 -63.86 1 5 -1 78 290.368 5 ↓

    Parameters Provided:

    ring.id = 1983
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 = 1983 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=1983&filter.purchasability=annotated

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