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

    Analogs

    19727311
    19727311
    19727313
    19727313
    19727315
    19727315
    34688245
    34688245
    34688246
    34688246

    Draw Identity 99% 90% 80% 70%

    Popular Name: O6-methyl O6-methyl

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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 12.19 -49.81 0 8 -1 118 478.521 6 ↓

    Analogs

    19727313
    19727313
    19727315
    19727315
    34688245
    34688245
    34688246
    34688246
    34688247
    34688247

    Draw Identity 99% 90% 80% 70%

    Popular Name: O6-methyl O6-methyl

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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 12.12 -49.8 0 8 -1 118 478.521 6 ↓

    Analogs

    19727315
    19727315
    34688245
    34688245
    34688246
    34688246
    34688247
    34688247
    34688248
    34688248

    Draw Identity 99% 90% 80% 70%

    Popular Name: O6-methyl O6-methyl

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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 12.19 -50.04 0 8 -1 118 478.521 6 ↓

    Analogs

    34688245
    34688245
    34688246
    34688246
    34688247
    34688247
    34688248
    34688248
    19727309
    19727309

    Draw Identity 99% 90% 80% 70%

    Popular Name: O6-methyl O6-methyl

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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 12.12 -49.89 0 8 -1 118 478.521 6 ↓

    Analogs

    34838657
    34838657
    34891610
    34891610

    Draw Identity 99% 90% 80% 70%

    Popular Name: pentyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate pentyl 2-methyl-5-oxo-4-(4-oxo-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) 4.75 12.51 -32.33 1 6 0 86 421.493 7 ↓

    Analogs

    34838657
    34838657
    34891610
    34891610

    Draw Identity 99% 90% 80% 70%

    Popular Name: pentyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate pentyl 2-methyl-5-oxo-4-(4-oxo-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) 4.75 12.53 -32.25 1 6 0 86 421.493 7 ↓

    Analogs

    35877227
    35877227
    35877228
    35877228
    35877229
    35877229
    35877230
    35877230

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4S,6S,7S)-5-keto-4-(4-keto-6-methyl-chromen-3-yl)-2,7-dimethyl-4,6,7,8-tetrahydro-1H-quinoline-3,6- (4S,6S,7S)-5-keto-4-(4-keto-6-me…

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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) 4.34 14.66 -45.36 1 8 0 112 525.623 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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) 3.91 14.31 -20.23 1 8 0 112 511.596 9 ↓

    Parameters Provided:

    ring.id = 52449
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 = 52449 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=52449&filter.purchasability=annotated

    Embed Link to Results

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