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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: cannot calculate cannot calculate

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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) 2.73 3.43 -16.77 3 6 0 83 313.357 6 ↓
    Ref Reference (pH 7) 2.73 3.1 -13.69 3 6 0 83 313.357 6 ↓

    Analogs

    36145054
    36145054
    36153504
    36153504

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(3-ethoxy-2-hydroxy-5-nitro-phenyl)methyleneamino]-2-(2-methylanilino)acetamide N-[(3-ethoxy-2-hydroxy-5-nitro-p…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.10 5.8 -15.34 3 9 0 129 372.381 8 ↓

    Analogs

    4017922
    4017922

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-chloroanilino)-N-[(2-hydroxy-5-nitro-phenyl)methyleneamino]acetamide 2-(4-chloroanilino)-N-[(2-hydrox…

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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) 3.42 4.66 -14.92 3 8 0 120 348.746 6 ↓

    Analogs

    36145062
    36145062
    36153504
    36153504
    4739456
    4739456
    36123264
    36123264

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-[(E)-(5-ethoxy-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-2-(4-methylanilino)acetohydrazi N'-[(E)-(5-ethoxy-3-nitro-6-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) 3.15 5.67 -15.37 3 9 0 129 372.381 8 ↓

    Analogs

    36157540
    36157540
    36145054
    36145054
    4739465
    4739465
    4739456
    4739456
    36048502
    36048502

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-[(Z)-(5-methoxy-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-2-(4-methylanilino)acetohydraz N'-[(Z)-(5-methoxy-3-nitro-6-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) 2.77 4.75 -15.61 3 9 0 129 358.354 7 ↓

    Analogs

    4739466
    4739466
    4739451
    4739451
    4045788
    4045788

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(5-bromo-2-hydroxy-3-nitro-phenyl)methyleneamino]-2-(4-methylanilino)acetamide N-[(5-bromo-2-hydroxy-3-nitro-ph…

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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 7.28 -36.99 2 8 -1 122 406.216 6 ↓
    Mid Mid (pH 6-8) 3.72 6.28 -13.72 3 8 0 120 407.224 6 ↓

    Analogs

    38194628
    38194628
    4739474
    4739474
    4739482
    4739482

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(3,4-diethoxyphenyl)methyleneamino]-2-(4-methylanilino)acetamide N-[(3,4-diethoxyphenyl)methylene…

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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 -14 2 6 0 72 355.438 9 ↓

    Analogs

    4739475
    4739475

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2,3-dimethoxyphenyl)methyleneamino]-2-(4-methylanilino)acetamide N-[(2,3-dimethoxyphenyl)methylen…

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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 6.2 -13.07 2 6 0 72 327.384 7 ↓

    Analogs

    4739476
    4739476

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2-ethoxyphenyl)methyleneamino]-2-(4-methylanilino)acetamide N-[(2-ethoxyphenyl)methyleneamin…

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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) 3.70 7.2 -11.4 2 5 0 63 311.385 7 ↓

    Analogs

    38194628
    38194628
    4739474
    4739474
    4739482
    4739482

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(3-ethoxy-4-methoxy-phenyl)methyleneamino]-2-(4-methylanilino)acetamide N-[(3-ethoxy-4-methoxy-phenyl)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) 3.34 7.08 -14.2 2 6 0 72 341.411 8 ↓

    Analogs

    36186410
    36186410
    4739488
    4739488

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-methylanilino)-N'-[(Z)-(5-methyl-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazi 2-(4-methylanilino)-N'-[(Z)-(5-m…

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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 5.57 -14.05 3 8 0 120 342.355 6 ↓

    Analogs

    36231001
    36231001
    36489945
    36489945
    38192715
    38192715

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(4-hydroxy-3-nitro-phenyl)methyleneamino]-2-(4-methylanilino)acetamide N-[(4-hydroxy-3-nitro-phenyl)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) 2.99 5.38 -15.82 3 8 0 120 328.328 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: cannot calculate cannot calculate

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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) 2.80 3.43 -15.89 3 9 0 129 344.327 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: cannot calculate cannot calculate

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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) 3.77 5.37 -15.53 3 8 0 120 362.773 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: cannot calculate cannot calculate

    Find On: PubMed — Wikipedia — Google

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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) 3.57 5.61 -14.53 3 8 0 120 342.355 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: cannot calculate cannot calculate

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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 4.72 -16.38 3 8 0 120 348.746 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[2-(diisobutylamino)-5-nitro-phenyl]methyleneamino]-2-[(2-methoxyphenyl)amino]acetamide N-[[2-(diisobutylamino)-5-nitro-…

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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) 5.11 0.63 -12.6 2 9 0 112 455.559 12 ↓

    Analogs

    4179761
    4179761

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-phenylpropylideneamino)-2-(p-tolylamino)acetamide N-(1-phenylpropylideneamino)-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) 3.73 -0.94 -12.66 2 4 0 53 295.386 6 ↓

    Analogs

    8396551
    8396551

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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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) 5.05 -2.48 -12.67 2 4 0 53 486.151 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[4-[N-[(2-anilinoacetyl)amino]-C-methyl-carbonimidoyl]phenyl]sulfonylamino]propanoic (2S)-2-[[4-[N-[(2-anilinoacetyl)…

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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) -0.03 3.3 -55.66 3 9 -1 140 417.467 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[4-[C-methyl-N-[[2-(p-tolylamino)acetyl]amino]carbonimidoyl]phenyl]sulfonylamino]propanoic (2S)-2-[[4-[C-methyl-N-[[2-(p-to…

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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) 0.42 3.98 -55.68 3 9 -1 140 431.494 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[4-[N-[[2-[(2-methoxyphenyl)amino]acetyl]amino]-C-methyl-carbonimidoyl]phenyl]sulfonylamino] (2S)-2-[[4-[N-[[2-[(2-methoxyphe…

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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) -0.02 2.73 -58.51 3 10 -1 149 447.493 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[4-[N-[[2-[(3-methoxyphenyl)amino]acetyl]amino]-C-methyl-carbonimidoyl]phenyl]sulfonylamino] (2S)-2-[[4-[N-[[2-[(3-methoxyphe…

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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) 0.00 2.6 -58.36 3 10 -1 149 447.493 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[4-[C-methyl-N-[[2-[(2,4,6-trimethylphenyl)amino]acetyl]amino]carbonimidoyl]phenyl]sulfonyla (2S)-2-[[4-[C-methyl-N-[[2-[(2,4…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.24 5.3 -55.61 3 9 -1 140 459.548 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[[4-[C-methyl-N-[[2-[[3-(trifluoromethyl)phenyl]amino]acetyl]amino]carbonimidoyl]phenyl]sulfonylam 3-[[4-[C-methyl-N-[[2-[[3-(trifl…

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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) 2.24 4.29 -58.54 3 9 -1 140 485.464 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[[4-[N-[[2-[(4-methoxyphenyl)amino]acetyl]amino]-C-methyl-carbonimidoyl]phenyl]sulfonylamino]propa 3-[[4-[N-[[2-[(4-methoxyphenyl)a…

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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) 1.42 2.59 -58.07 3 10 -1 149 447.493 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[[4-[N-[(2-anilinoacetyl)amino]-C-methyl-carbonimidoyl]phenyl]sulfonylamino]propanoic 3-[[4-[N-[(2-anilinoacetyl)amino…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.37 3.3 -56.57 3 9 -1 140 417.467 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[[4-[C-methyl-N-[[2-(p-tolylamino)acetyl]amino]carbonimidoyl]phenyl]sulfonylamino]propanoic 3-[[4-[C-methyl-N-[[2-(p-tolylam…

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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 3.97 -56.6 3 9 -1 140 431.494 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[[4-[N-[[2-[(2-methoxyphenyl)amino]acetyl]amino]-C-methyl-carbonimidoyl]phenyl]sulfonylamino]propa 3-[[4-[N-[[2-[(2-methoxyphenyl)a…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.38 2.72 -59.24 3 10 -1 149 447.493 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[[4-[C-methyl-N-[[2-[(2,4,6-trimethylphenyl)amino]acetyl]amino]carbonimidoyl]phenyl]sulfonylamino] 3-[[4-[C-methyl-N-[[2-[(2,4,6-tr…

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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) 1.63 5.29 -56.37 3 9 -1 140 459.548 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[[4-[N-[[2-[(3-methoxyphenyl)amino]acetyl]amino]-C-methyl-carbonimidoyl]phenyl]sulfonylamino]propa 3-[[4-[N-[[2-[(3-methoxyphenyl)a…

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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) 1.40 2.59 -59.16 3 10 -1 149 447.493 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-{2-[2-(4-butoxybenzylidene)hydrazino]-2-oxoethyl}-N-(3,4-dichlorophenyl)methanesulfonamide N-{2-[2-(4-butoxybenzylidene)hyd…

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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) 5.27 -3.52 -16.59 1 7 0 88 472.394 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-{[3,4-dichloro(methylsulfonyl)anilino]acetyl}carbohydrazonoyl)-2-methoxyphenyl methyl carbonate 4-(2-{[3,4-dichloro(methylsulfon…

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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) 3.27 -1.48 -22.54 1 10 0 123 504.348 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: carbonic-acid-[4-[(E)-[[2-(N-mesyl-2-methoxy-anilino)acetyl]hydrazono]methyl]-2-methoxy-phenyl]-meth carbonic-acid-[4-[(E)-[[2-(N-mes…

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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) 1.99 -1.23 -31.43 1 11 0 132 465.484 11 ↓

    Analogs

    4363613
    4363613

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-{2-[2-(2,3-dimethoxybenzylidene)hydrazino]-1-methyl-2-oxoethyl}-N-phenylmethanesulfonamide N-{2-[2-(2,3-dimethoxybenzyliden…

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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) 2.64 -2.75 -30.89 1 8 0 97 405.476 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3,4-dichlorophenyl)-N-{2-[2-(4-fluorobenzylidene)hydrazino]-2-oxoethyl}methanesulfonamide N-(3,4-dichlorophenyl)-N-{2-[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) 3.94 -3.02 -16.97 1 6 0 78 418.277 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-chloro-N-mesyl-5-(trifluoromethyl)anilino]-N-[(E)-(2,6-dichlorobenzylidene)amino]acetamide 2-[2-chloro-N-mesyl-5-(trifluoro…

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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 -1.61 -14.25 1 6 0 78 502.729 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3,4-dichlorophenyl)-N-{2-[2-(2,3-dimethoxybenzylidene)hydrazino]-2-oxoethyl}methanesulfonamide N-(3,4-dichlorophenyl)-N-{2-[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) 3.59 -3.24 -30.45 1 8 0 97 460.339 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3,4-dichlorophenyl)-N-(2-{2-[4-(diethylamino)benzylidene]hydrazino}-2-oxoethyl)methanesulfonamide N-(3,4-dichlorophenyl)-N-(2-{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) 4.63 -3.24 -16.39 1 7 0 82 471.41 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-[(E)-[[(2R)-2-(N-mesylanilino)propanoyl]hydrazono]methyl]phenoxy]acetic-acid-methyl-ester 2-[4-[(E)-[[(2R)-2-(N-mesylanili…

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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) 2.74 -2.35 -21.88 1 9 0 114 433.486 10 ↓

    Analogs

    4363617
    4363617

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-{2-[3-(allyloxy)benzylidene]hydrazino}-1-methyl-2-oxoethyl)-N-phenylmethanesulfonamide N-(2-{2-[3-(allyloxy)benzylidene…

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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 -2.96 -26.36 1 7 0 88 401.488 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-{2-[4-(allyloxy)-3-methoxybenzylidene]hydrazino}-2-oxoethyl)-N-(2,3-dimethylphenyl)methanesulfonamide N-(2-{2-[4-(allyloxy)-3-methoxyb…

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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 -2.19 -31.45 1 8 0 97 445.541 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2,3-dimethylphenyl)-N-(2-oxo-2-{2-[3-(trifluoromethyl)benzylidene]hydrazino}ethyl)methanesulfonamide N-(2,3-dimethylphenyl)-N-(2-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) 4.16 -0.82 -27.52 1 6 0 78 427.448 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-{2-[2-(2,6-dichlorobenzylidene)hydrazino]-2-oxoethyl}-N-(2-methoxyphenyl)methanesulfonamide N-{2-[2-(2,6-dichlorobenzylidene…

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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 -3.66 -24.34 1 7 0 88 430.313 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-{2-[3-bromo-4-(dimethylamino)benzylidene]hydrazino}-2-oxoethyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide N-(2-{2-[3-bromo-4-(dimethylamin…

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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 -3.09 -14.41 1 7 0 82 555.804 8 ↓

    Analogs

    15985960
    15985960

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(E)-[[2-(N-mesyl-2,3-dimethyl-anilino)acetyl]hydrazono]methyl]benzoate 2-[(E)-[[2-(N-mesyl-2,3-dimethyl…

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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) 2.81 7.12 -63.71 1 8 -1 119 402.452 7 ↓

    Analogs

    4363630
    4363630

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-{1-methyl-2-oxo-2-[2-(2,3,4-trimethylbenzylidene)hydrazino]ethyl}-N-phenylmethanesulfonamide N-{1-methyl-2-oxo-2-[2-(2,3,4-tr…

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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) 4.02 -2.61 -23.33 1 6 0 78 387.505 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[3-[(E)-[[2-(3,4-dichloro-N-mesyl-anilino)acetyl]hydrazono]methyl]phenoxy]acetic-acid-methyl-ester 2-[3-[(E)-[[2-(3,4-dichloro-N-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) 3.67 -2.51 -20.94 1 9 0 114 488.349 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-N-{2-[2-(2-methoxybenzylidene)hydrazino]-2-oxoethyl}methanesulfonamide N-[2-chloro-5-(trifluoromethyl)p…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.00 -1.33 -27.5 1 7 0 88 463.865 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-{2-[2-(2-chloro-6-fluorobenzylidene)hydrazino]-2-oxoethyl}-N-(2,3-dichlorophenyl)methanesulfonamide N-{2-[2-(2-chloro-6-fluorobenzyl…

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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) 4.49 -3.11 -20.68 1 6 0 78 452.722 6 ↓

    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 = 40589 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=40589&filter.purchasability=annotated

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