• Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245
    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
    UCSF
    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    6644773
    6644773
    6644775
    6644775
    6644776
    6644776

    Draw Identity 99% 90% 80% 70%


    Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

    Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

    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) 1.94 6.96 -18.33 2 6 0 83 326.4 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[(1S,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-(2,6-dimethylphenyl)-1-sulfanyl-formamidine N-[[(1S,5R)-6-bicyclo[3.2.0]hept…

    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) 2.65 10.48 -10.18 2 3 0 36 285.416 4 ↓
    Hi High (pH 8-9.5) 4.26 9.86 -45.28 1 3 -1 37 284.408 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-(2,6-dimethylphenyl)-1-sulfanyl-formamidine N-[[(1R,5R)-6-bicyclo[3.2.0]hept…

    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) 2.65 10.45 -10.32 2 3 0 36 285.416 4 ↓
    Hi High (pH 8-9.5) 4.26 9.81 -46.11 1 3 -1 37 284.408 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[(1S,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-(2,6-dimethylphenyl)-1-sulfanyl-formamidine N-[[(1S,5S)-6-bicyclo[3.2.0]hept…

    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) 2.65 10.46 -10.3 2 3 0 36 285.416 4 ↓
    Hi High (pH 8-9.5) 4.26 9.82 -46.07 1 3 -1 37 284.408 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[(1R,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-(2,6-dimethylphenyl)-1-sulfanyl-formamidine N-[[(1R,5S)-6-bicyclo[3.2.0]hept…

    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) 2.65 10.46 -10.17 2 3 0 36 285.416 4 ↓
    Hi High (pH 8-9.5) 4.26 9.85 -45.31 1 3 -1 37 284.408 3 ↓

    Parameters Provided:

    ring.id = 80047
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 = 80047 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=80047&filter.purchasability=annotated

    Embed Link to Results

  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245