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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: (2R)-2-chloro-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-phenyl-acetamide (2R)-2-chloro-N-[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) 3.45 -1.1 -16.54 1 5 0 52 413.949 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-chloro-N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-phenyl-acetamide (2S)-2-chloro-N-[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) 3.45 -1.15 -16.84 1 5 0 52 413.949 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-chloro-6-fluoro-phenyl)-N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]acetamide 2-(2-chloro-6-fluoro-phenyl)-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 10.19 -15.57 1 4 0 49 409.288 4 ↓

    Analogs

    33771705
    33771705
    735324
    735324
    735362
    735362
    736701
    736701

    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) 2.83 8.38 -22.1 1 5 0 59 352.434 5 ↓

    Analogs

    735346
    735346
    4190349
    4190349
    6704325
    6704325

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzeneacetamide, N-[3-(1-piperidinylcarbonyl)phenyl]- benzeneacetamide, N-[3-(1-piperi…

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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 9.08 -20.59 1 4 0 49 322.408 4 ↓

    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) 3.45 9.6 -20.76 1 4 0 49 356.853 4 ↓

    Analogs

    6704325
    6704325

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzeneacetamide, 2-methyl-N-[3-(1-piperidinylcarbonyl)phenyl]- benzeneacetamide, 2-methyl-N-[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) 3.17 9.6 -19.78 1 4 0 49 336.435 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[5-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methyl-phenyl]-2-(2-nitrophenyl)acetamide N-[5-[(3S,5R)-3,5-dimethylpiperi…

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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) 3.80 11.49 -27.17 1 7 0 95 409.486 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-2-methyl-phenyl]-2-(2-nitrophenyl)acetamide N-[5-[(3S,5S)-3,5-dimethylpiperi…

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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) 3.80 11.73 -27.51 1 7 0 95 409.486 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methyl-phenyl]-2-(2-nitrophenyl)acetamide N-[5-[(3R,5R)-3,5-dimethylpiperi…

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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) 3.80 11.73 -27.01 1 7 0 95 409.486 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzeneacetamide, 4-amino-N-[3-(1-piperidinylcarbonyl)phenyl]- benzeneacetamide, 4-amino-N-[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) 1.85 6.97 -20.5 3 5 0 75 337.423 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzeneacetamide, 4-amino-N-[3-[(4-methyl-1-piperidinyl)carbonyl]phenyl]- benzeneacetamide, 4-amino-N-[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) 2.09 7.59 -14.54 3 5 0 75 351.45 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzeneacetamide, a-methyl-4-(2-methylpropyl)-N-[3-(1-piperidinylcarbonyl)phenyl]- benzeneacetamide, a-methyl-4-(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) 4.87 12.35 -15.23 1 4 0 49 392.543 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzeneacetamide, a-methyl-4-(2-methylpropyl)-N-[3-(1-piperidinylcarbonyl)phenyl]- benzeneacetamide, a-methyl-4-(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) 4.87 12.35 -15.01 1 4 0 49 392.543 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzeneacetamide, a-methyl-N-[3-[(4-methyl-1-piperidinyl)carbonyl]phenyl]-4-(2-methylpropyl)- benzeneacetamide, a-methyl-N-[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) 5.11 12.93 -12.76 1 4 0 49 406.57 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzeneacetamide, a-methyl-N-[3-[(4-methyl-1-piperidinyl)carbonyl]phenyl]-4-(2-methylpropyl)- benzeneacetamide, a-methyl-N-[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) 5.11 12.93 -12.71 1 4 0 49 406.57 6 ↓

    Parameters Provided:

    ring.id = 935
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 = 935 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=935&filter.purchasability=annotated

    Embed Link to Results

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