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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: (6S)-6-cyano-6-phenyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-benzothiophene-3-carboxylic-acid-ethy (6S)-6-cyano-6-phenyl-2-[(2-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) 5.20 2.46 -15.12 1 5 0 79 444.556 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6R)-6-cyano-6-phenyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-benzothiophene-3-carboxylic-acid-ethy (6R)-6-cyano-6-phenyl-2-[(2-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) 5.20 2.46 -15.11 1 5 0 79 444.556 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) 6.25 13.69 -11.95 1 4 0 55 484.415 6 ↓

    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) 6.25 0.4 -12 1 4 0 55 484.415 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: isopropyl 2-{[(4-chlorophenyl)acetyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate isopropyl 2-{[(4-chlorophenyl)ac…

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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) 6.85 1.24 -11.79 1 4 0 55 468.018 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: isopropyl 2-{[(4-chlorophenyl)acetyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate isopropyl 2-{[(4-chlorophenyl)ac…

    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) 6.85 1.24 -11.7 1 4 0 55 468.018 7 ↓

    Parameters Provided:

    ring.id = 1289
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 = 1289 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=1289&filter.purchasability=annotated

    Embed Link to Results

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