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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
    UCSF
    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-cyclohexanedicarboxamide, N,N'-bis[2-(2-ethoxyethoxy)phenyl]- 1,4-cyclohexanedicarboxamide, 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) 4.15 9.81 -15.29 2 8 0 95 498.62 14 ↓

    Analogs

    37084929
    37084929
    37084935
    37084935
    37084940
    37084940
    37084942
    37084942
    37084944
    37084944

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.99 6.33 -29.84 4 8 0 116 436.512 6 ↓

    Analogs

    37124706
    37124706
    37124708
    37124708
    37124716
    37124716
    37124718
    37124718
    37124720
    37124720

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-cyclohexanedicarboxamide, N,N'-bis[2-[(dimethylamino)carbonyl]phenyl]- 1,4-cyclohexanedicarboxamide, 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) 1.44 8.9 -18.6 2 8 0 99 464.566 6 ↓

    Analogs

    40037790
    40037790
    44809273
    44809273

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-cyclohexanedicarboxamide, N,N'-bis(3-chloro-4-methoxyphenyl)- 1,4-cyclohexanedicarboxamide, 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) 4.93 8.2 -19.97 2 6 0 77 451.35 6 ↓

    Analogs

    8556611
    8556611

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-cyclohexanedicarboxamide, N,N'-bis[2-[[(1-methylethyl)amino]carbonyl]phenyl]- 1,4-cyclohexanedicarboxamide, 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) 3.24 9.43 -21.02 4 8 0 116 492.62 8 ↓

    Analogs

    9194997
    9194997

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-cyclohexanedicarboxamide, N,N'-bis[2-[(propylamino)carbonyl]phenyl]- 1,4-cyclohexanedicarboxamide, 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) 3.65 9.28 -21.03 4 8 0 116 492.62 10 ↓

    Analogs

    20014228
    20014228
    34938380
    34938380
    34938381
    34938381
    383579
    383579

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-cyclohexanedicarboxamide, N,N'-bis(3-bromophenyl)- 1,4-cyclohexanedicarboxamide, 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) 5.17 9.74 -18.66 2 4 0 58 480.2 4 ↓

    Analogs

    14837096
    14837096
    31071542
    31071542
    32953264
    32953264
    32953266
    32953266
    37043459
    37043459

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-cyclohexanedicarboxamide, N,N'-bis[4-[[(1-methylethyl)amino]carbonyl]phenyl]- 1,4-cyclohexanedicarboxamide, 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) 3.34 8.54 -24.25 4 8 0 116 492.62 8 ↓

    Analogs

    30892000
    30892000
    9953126
    9953126
    9953367
    9953367

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.19 2.21 -32.33 6 8 0 144 408.458 6 ↓

    Analogs

    10715396
    10715396
    10715397
    10715397

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-cyclohexanedicarboxamide, N,N'-bis[2-[[(1-methylpropyl)amino]carbonyl]phenyl]- 1,4-cyclohexanedicarboxamide, 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) 4.31 11.41 -17.02 4 8 0 116 520.674 10 ↓

    Analogs

    40037772
    40037772

    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) 4.47 9.07 -14.17 2 6 0 77 410.514 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-cyclohexanedicarboxamide, N,N'-bis[3-(acetylamino)-4-methylphenyl]- 1,4-cyclohexanedicarboxamide, 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) 2.79 8.05 -28.63 4 8 0 116 464.566 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-cyclohexanedicarboxamide, N,N'-bis[4-[3-(methylamino)-3-oxopropyl]phenyl]- 1,4-cyclohexanedicarboxamide, 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) 3.21 8.17 -23.3 4 8 0 116 492.62 10 ↓

    Analogs

    40949135
    40949135

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-cyclohexanedicarboxamide, N,N'-bis(2-methoxy-4-nitrophenyl)- 1,4-cyclohexanedicarboxamide, 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) 3.49 8.92 -15.43 2 12 0 168 472.454 8 ↓

    Analogs

    44809146
    44809146
    44814362
    44814362

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-cyclohexanedicarboxamide, N,N'-bis(2-bromo-4-methylphenyl)- 1,4-cyclohexanedicarboxamide, 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) 5.97 11.35 -12.11 2 4 0 58 508.254 4 ↓

    Parameters Provided:

    ring.id = 9467
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 = 9467 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=9467&filter.purchasability=annotated

    Embed Link to Results

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