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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: 2-phenoxyethyl 4-(2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate 2-phenoxyethyl 4-(2,5-dimethoxyp…

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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 0.21 -13.09 1 8 0 86 426.469 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-phenoxyethyl 4-(2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate 2-phenoxyethyl 4-(2,5-dimethoxyp…

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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 0.89 -14.75 1 8 0 86 426.469 9 ↓

    Analogs

    2784654
    2784654
    3418652
    3418652
    3418655
    3418655

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6R)-6-(4-hydroxy-3-methoxy-phenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic-acid-2-ph (6R)-6-(4-hydroxy-3-methoxy-phen…

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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 -1.19 -12.36 2 8 0 97 412.442 8 ↓

    Analogs

    3418652
    3418652
    3418655
    3418655
    2784653
    2784653

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6S)-6-(4-hydroxy-3-methoxy-phenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic-acid-2-ph (6S)-6-(4-hydroxy-3-methoxy-phen…

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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 -1.08 -13.95 2 8 0 97 412.442 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6R)-6-(4-chlorophenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic-acid-2-phenoxyethyl-e (6R)-6-(4-chlorophenyl)-2-keto-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) 5.06 0.41 -9.14 1 6 0 67 400.862 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6S)-6-(2-iodophenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic-acid-2-phenoxyethyl-est (6S)-6-(2-iodophenyl)-2-keto-3,4…

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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) 5.41 -0.37 -10.65 1 6 0 67 492.313 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6R)-6-(2-iodophenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic-acid-2-phenoxyethyl-est (6R)-6-(2-iodophenyl)-2-keto-3,4…

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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) 5.41 -0.39 -12.27 1 6 0 67 492.313 7 ↓

    Analogs

    4550285
    4550285

    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) 3.70 -0.22 -12.07 2 6 0 76 370.38 7 ↓

    Analogs

    4550283
    4550283

    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) 3.70 -0.21 -13.24 2 6 0 76 370.38 7 ↓

    Parameters Provided:

    ring.id = 195452
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 = 195452 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=195452&filter.purchasability=annotated

    Embed Link to Results

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