• Notice: Undefined index: synonym
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    line: 245
    • 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-[2-(allylcarbamoyl)phenyl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide N-[2-(allylcarbamoyl)phenyl]-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) 3.28 7.92 -21.14 3 6 0 87 377.444 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(allylcarbamoyl)phenyl]-4-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide N-[2-(allylcarbamoyl)phenyl]-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) 3.28 7.8 -19.62 3 6 0 87 377.444 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(allylcarbamoyl)phenyl]-4-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]benzamide N-[2-(allylcarbamoyl)phenyl]-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) 3.28 7.84 -19.23 3 6 0 87 377.444 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(allylcarbamoyl)phenyl]-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide N-[2-(allylcarbamoyl)phenyl]-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) 3.28 7.85 -19.58 3 6 0 87 377.444 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) 3.50 0.25 -16.25 1 4 0 49 308.381 5 ↓

    Analogs

    27824246
    27824246

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(cyclopropanecarbonylamino)-N-[2-(difluoromethoxy)phenyl]benzamide 4-(cyclopropanecarbonylamino)-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) 3.44 6.69 -13.73 2 5 0 67 346.333 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[5-chloro-2-(dimethylamino)phenyl]-4-(cyclopropanecarbonylamino)benzamide N-[5-chloro-2-(dimethylamino)phe…

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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 8.74 -11.58 2 5 0 61 357.841 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-dimethylaminoethyl)-4-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-phenyl-benzamide N-(2-dimethylaminoethyl)-4-[[(1S…

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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 10.55 -63.33 2 5 1 54 366.485 7 ↓
    Hi High (pH 8-9.5) 3.76 8.06 -13.62 1 5 0 53 365.477 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-dimethylaminoethyl)-4-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-phenyl-benzamide N-(2-dimethylaminoethyl)-4-[[(1R…

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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 10.55 -63.37 2 5 1 54 366.485 7 ↓
    Hi High (pH 8-9.5) 3.76 8.06 -13.71 1 5 0 53 365.477 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-dimethylaminoethyl)-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-phenyl-benzamide N-(2-dimethylaminoethyl)-4-[[(1R…

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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 10.6 -62.36 2 5 1 54 366.485 7 ↓
    Hi High (pH 8-9.5) 3.76 8.11 -13.11 1 5 0 53 365.477 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N1-[4-[(3-methoxyphenyl)carbamoyl]phenyl]cyclopropane-1,1-dicarboxamide N1-[4-[(3-methoxyphenyl)carbamoy…

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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) 1.22 3.42 -23.01 4 7 0 111 353.378 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-(3-cyanopropoxy)phenyl]-4-(cyclopropanecarbonylamino)benzamide N-[3-(3-cyanopropoxy)phenyl]-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) 2.64 8.53 -22.27 2 6 0 91 363.417 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-chloro-2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-propyl-benzamide 4-chloro-2-[[4-(cyclopropanecarb…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.56 7.87 -15.84 3 6 0 87 399.878 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-chloro-2-propoxy-phenyl)-4-(cyclopropanecarbonylamino)benzamide N-(5-chloro-2-propoxy-phenyl)-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) 4.42 8.65 -12.16 2 5 0 67 372.852 7 ↓

    Analogs

    55618624
    55618624
    55618625
    55618625
    55618626
    55618626

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-ethoxy-4-methyl-phenyl)-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide N-(2-ethoxy-4-methyl-phenyl)-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) 4.29 8.72 -11.86 2 5 0 67 352.434 6 ↓

    Analogs

    55618625
    55618625
    55618626
    55618626
    55618623
    55618623

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-ethoxy-4-methyl-phenyl)-4-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide N-(2-ethoxy-4-methyl-phenyl)-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) 4.29 8.68 -12.27 2 5 0 67 352.434 6 ↓

    Analogs

    55618626
    55618626
    55618623
    55618623
    55618624
    55618624

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-ethoxy-4-methyl-phenyl)-4-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]benzamide N-(2-ethoxy-4-methyl-phenyl)-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) 4.29 8.68 -12.3 2 5 0 67 352.434 6 ↓

    Analogs

    55618623
    55618623
    55618624
    55618624
    55618625
    55618625

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-ethoxy-4-methyl-phenyl)-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide N-(2-ethoxy-4-methyl-phenyl)-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) 4.29 8.72 -11.87 2 5 0 67 352.434 6 ↓

    Analogs

    55639664
    55639664

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(cyclopropanecarbonylamino)-N-[4-[(1S)-1-methylpropoxy]phenyl]benzamide 4-(cyclopropanecarbonylamino)-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) 4.17 8.69 -12.63 2 5 0 67 352.434 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-cyanoethyl)-4-(cyclopropanecarbonylamino)-N-(m-tolyl)benzamide N-(2-cyanoethyl)-4-(cyclopropane…

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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) 3.00 9.72 -14.98 1 5 0 73 347.418 6 ↓

    Parameters Provided:

    ring.id = 12621
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 = 12621 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=12621&filter.purchasability=annotated

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