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    Analogs

    37009282
    37009282
    37009283
    37009283

    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) 3.88 -0.86 -12.56 1 3 0 41 282.368 3 ↓

    Analogs

    10512608
    10512608
    10699980
    10699980
    36647440
    36647440

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-chloro-4-methoxy-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-(2,4-dimethylphenyl)-acetamide N-(7-chloro-4-methoxy-benzothiaz…

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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) 5.22 1.79 -61.14 1 5 1 46 432.997 7 ↓

    Analogs

    10512612
    10512612

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-chloro-4-methoxy-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-(4-fluorophenyl)-acetamide N-(7-chloro-4-methoxy-benzothiaz…

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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) 4.55 2.01 -65.94 1 5 1 46 422.933 7 ↓

    Analogs

    10512624
    10512624

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-chloro-4-methoxy-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-(4-methylsulfanylphenyl)-acetami N-(7-chloro-4-methoxy-benzothiaz…

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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) 4.82 0.91 -64.83 1 5 1 46 451.037 8 ↓

    Analogs

    10512629
    10512629

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-chloro-4-methoxy-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-(4-methylsulfonylphenyl)-acetami N-(7-chloro-4-methoxy-benzothiaz…

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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) 3.26 -2.36 -75.19 1 7 1 81 483.035 8 ↓

    Analogs

    10699987
    10699987
    36647913
    36647913
    36702677
    36702677

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-chloro-4-methoxy-benzothiazol-2-yl)-N-(3-dimethylaminopropyl)-2-(2,4-dimethylphenyl)-acetamide N-(7-chloro-4-methoxy-benzothiaz…

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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) 5.49 1.91 -59.48 1 5 1 46 447.024 8 ↓

    Analogs

    36702677
    36702677

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-chloro-4-methoxy-benzothiazol-2-yl)-N-(3-dimethylaminopropyl)-2-(4-fluorophenyl)-acetamide N-(7-chloro-4-methoxy-benzothiaz…

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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) 4.83 2.13 -62.54 1 5 1 46 436.96 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-chloro-4-methoxy-benzothiazol-2-yl)-N-(3-dimethylaminopropyl)-2-(4-methylsulfanylphenyl)-acetam N-(7-chloro-4-methoxy-benzothiaz…

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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) 5.10 1.03 -62.25 1 5 1 46 465.064 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-chloro-4-methoxy-benzothiazol-2-yl)-N-(3-dimethylaminopropyl)-2-(4-methylsulfonylphenyl)-acetam N-(7-chloro-4-methoxy-benzothiaz…

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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 -2.25 -71.93 1 7 1 81 497.062 9 ↓

    Analogs

    10699980
    10699980
    36647440
    36647440
    10512467
    10512467

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-chloro-4-methoxy-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-(2,4-dimethylphenyl)-acetamide N-(7-chloro-4-methoxy-benzothiaz…

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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) 5.97 2.16 -58.77 1 5 1 46 461.051 9 ↓

    Analogs

    10512475
    10512475

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-chloro-4-methoxy-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-(4-fluorophenyl)-acetamide N-(7-chloro-4-methoxy-benzothiaz…

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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) 5.31 2.15 -62.17 1 5 1 46 450.987 9 ↓

    Analogs

    10512526
    10512526

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-chloro-4-methoxy-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-(4-methylsulfanylphenyl)-acetamid N-(7-chloro-4-methoxy-benzothiaz…

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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) 5.58 1.28 -61.72 1 5 1 46 479.091 10 ↓

    Analogs

    10512530
    10512530

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-chloro-4-methoxy-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-(4-methylsulfonylphenyl)-acetamid N-(7-chloro-4-methoxy-benzothiaz…

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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 -2.23 -71.49 1 7 1 81 511.089 10 ↓

    Analogs

    10745864
    10745864

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-chloro-4-methoxy-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)-acetamide N-(7-chloro-4-methoxy-benzothiaz…

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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) 4.94 -0.67 -14.4 1 4 0 51 360.866 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-chloro-4-methoxy-benzothiazol-2-yl)-2-(4-fluorophenyl)-acetamide N-(7-chloro-4-methoxy-benzothiaz…

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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) 4.28 -0.45 -16.16 1 4 0 51 350.802 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-chloro-4-methoxy-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)-acetamide N-(7-chloro-4-methoxy-benzothiaz…

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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) 4.55 -1.55 -16.13 1 4 0 51 378.906 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-chloro-4-methoxy-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-acetamide N-(7-chloro-4-methoxy-benzothiaz…

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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) 2.99 -4.83 -24.93 1 6 0 85 410.904 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-(1,3-benzothiazol-2-yl)-2-phenyl-propanamide (2R)-2-amino-N-(1,3-benzothiazol…

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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) 3.11 6 -13.4 3 4 0 68 297.383 3 ↓
    Mid Mid (pH 6-8) 3.11 6.3 -60.1 4 4 1 70 298.391 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-(1,3-benzothiazol-2-yl)-2-phenyl-propanamide (2S)-2-amino-N-(1,3-benzothiazol…

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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) 3.11 6.07 -14.51 3 4 0 68 297.383 3 ↓
    Mid Mid (pH 6-8) 3.11 6.3 -60.03 4 4 1 70 298.391 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-aminophenyl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide 2-(3-aminophenyl)-N-(6-chloro-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) 3.18 6.68 -14.3 3 4 0 68 317.801 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-aminophenyl)-N-(1,3-benzothiazol-2-yl)acetamide 2-(3-aminophenyl)-N-(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) 2.53 5.82 -13.38 3 4 0 68 283.356 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide N-(6-amino-1,3-benzothiazol-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) 3.18 6.68 -16.87 3 4 0 68 317.801 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-amino-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenyl-acetamide (2S)-2-amino-N-(6-methyl-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) 1.21 5.93 -18.01 3 4 0 68 297.383 3 ↓
    Mid Mid (pH 6-8) 1.21 6.25 -56.47 4 4 1 70 298.391 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenyl-acetamide (2R)-2-amino-N-(6-methyl-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) 1.21 5.9 -16.57 3 4 0 68 297.383 3 ↓
    Mid Mid (pH 6-8) 1.21 6.25 -56.44 4 4 1 70 298.391 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-aminophenyl)-N-(1,3-benzothiazol-2-yl)acetamide 2-(2-aminophenyl)-N-(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) 2.91 5.85 -15.79 3 4 0 68 283.356 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-aminophenyl)-N-(1,3-benzothiazol-2-yl)acetamide 2-(4-aminophenyl)-N-(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) 2.55 5.77 -15.91 3 4 0 68 283.356 3 ↓

    Analogs

    36147120
    36147120
    370211
    370211

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide N-(6-ethyl-1,3-benzothiazol-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) 4.33 10.43 -20.72 1 6 0 88 341.392 5 ↓

    Analogs

    36633172
    36633172
    36633313
    36633313
    36649378
    36649378
    36661481
    36661481
    370211
    370211

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide N-(4,6-dimethyl-1,3-benzothiazol…

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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) 4.24 10.04 -18.53 1 6 0 88 341.392 4 ↓

    Analogs

    36638132
    36638132
    10066065
    10066065
    10066073
    10066073

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-phenyl-acetamide N-(5,6-dimethoxy-1,3-benzothiazo…

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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) 3.38 11.02 -56.62 1 6 1 56 400.524 8 ↓
    Hi High (pH 8-9.5) 3.38 8.55 -12.99 0 6 0 55 399.516 8 ↓

    Analogs

    4359292
    4359292
    5268260
    5268260

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenyl-acetamide N-(2-diethylaminoethyl)-N-(4-flu…

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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) 4.62 12.95 -34.11 1 4 1 38 386.516 8 ↓
    Hi High (pH 8-9.5) 4.62 10.84 -10.48 0 4 0 36 385.508 8 ↓

    Analogs

    10066065
    10066065
    36638132
    36638132

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-diethylaminoethyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenyl-acetamide N-(2-diethylaminoethyl)-N-(5,6-d…

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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) 4.13 12.38 -53.93 1 6 1 56 428.578 10 ↓
    Hi High (pH 8-9.5) 4.13 10.27 -12.35 0 6 0 55 427.57 10 ↓

    Analogs

    36641866
    36641866

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-(4-nitrophenyl)acetamide N-(1,3-benzothiazol-2-yl)-N-(2-d…

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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) 3.71 12.54 -66.38 1 7 1 83 385.469 7 ↓

    Analogs

    36641865
    36641865

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-(4-nitrophenyl)acetamide N-(1,3-benzothiazol-2-yl)-N-(2-d…

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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) 4.46 13.63 -41.72 1 7 1 83 413.523 9 ↓

    Analogs

    36641868
    36641868

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide N-(2-dimethylaminoethyl)-N-(6-me…

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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) 3.74 11.82 -67.91 1 8 1 93 415.495 8 ↓

    Analogs

    36641867
    36641867

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-diethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide N-(2-diethylaminoethyl)-N-(6-met…

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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) 4.50 13.16 -65.61 1 8 1 93 443.549 10 ↓

    Analogs

    36641870
    36641870

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide N-(2-dimethylaminoethyl)-N-(6-et…

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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) 4.12 12.73 -68.31 1 8 1 93 429.522 9 ↓

    Analogs

    36641869
    36641869

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-diethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide N-(2-diethylaminoethyl)-N-(6-eth…

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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) 4.87 14.1 -65.28 1 8 1 93 457.576 11 ↓

    Analogs

    36641872
    36641872

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-(4-nitrophenyl)acetamide N-(6-chloro-1,3-benzothiazol-2-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) 4.37 13.05 -67.49 1 7 1 83 419.914 7 ↓

    Analogs

    36641871
    36641871

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-(4-nitrophenyl)acetamide N-(6-chloro-1,3-benzothiazol-2-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) 5.12 14.39 -64.75 1 7 1 83 447.968 9 ↓

    Analogs

    36641874
    36641874

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide N-(2-dimethylaminoethyl)-N-(6-fl…

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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 12.6 -68.15 1 7 1 83 403.459 7 ↓

    Analogs

    36641873
    36641873

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-diethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide N-(2-diethylaminoethyl)-N-(6-flu…

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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) 4.60 13.95 -65.38 1 7 1 83 431.513 9 ↓

    Analogs

    36641876
    36641876

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-(4-nitrophenyl)acetamide N-(6-bromo-1,3-benzothiazol-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) 4.50 13.14 -67.61 1 7 1 83 464.365 7 ↓

    Analogs

    36641875
    36641875

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-(4-nitrophenyl)acetamide N-(6-bromo-1,3-benzothiazol-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) 5.25 14.5 -64.59 1 7 1 83 492.419 9 ↓

    Analogs

    36641878
    36641878

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide N-(2-dimethylaminoethyl)-N-(4-et…

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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) 4.10 12.98 -74.45 1 8 1 93 429.522 9 ↓

    Analogs

    36641877
    36641877

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide N-(2-diethylaminoethyl)-N-(4-eth…

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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) 4.85 14.33 -71.63 1 8 1 93 457.576 11 ↓

    Analogs

    36641880
    36641880

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-dimethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide N-(2-dimethylaminoethyl)-N-(4-fl…

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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 12.6 -64.81 1 7 1 83 403.459 7 ↓

    Analogs

    36641879
    36641879

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide N-(2-diethylaminoethyl)-N-(4-flu…

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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 13.7 -42.23 1 7 1 83 431.513 9 ↓

    Analogs

    36641882
    36641882

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-(4-nitrophenyl)acetamide N-(4,6-difluoro-1,3-benzothiazol…

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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 12.67 -65.18 1 7 1 83 421.449 7 ↓

    Analogs

    36641881
    36641881

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide N-(2-diethylaminoethyl)-N-(4,6-d…

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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) 4.69 14.03 -62.64 1 7 1 83 449.503 9 ↓

    Analogs

    36641885
    36641885

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-dimethylaminoethyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide N-(2-dimethylaminoethyl)-N-(5,7-…

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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) 4.51 13.83 -65.62 1 7 1 83 413.523 7 ↓

    Parameters Provided:

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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 = 4170 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=4170&filter.purchasability=annotated

    Embed Link to Results

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