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

    Analogs

    12404232
    12404232
    34921699
    34921699
    34921700
    34921700

    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) 2.52 -2.72 -22.16 2 6 0 77 368.433 7 ↓

    Analogs

    34921699
    34921699
    34921700
    34921700
    12404231
    12404231

    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) 2.52 -2.65 -22.47 2 6 0 77 368.433 7 ↓

    Analogs

    14562317
    14562317
    34890556
    34890556

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzeneacetamide, 2-methyl-N-[3-[[[(tetrahydro-2-furanyl)methyl]amino]carbonyl]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) 2.86 7.05 -20.57 2 5 0 67 352.434 6 ↓

    Analogs

    34890556
    34890556
    14562315
    14562315

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzeneacetamide, 2-methyl-N-[3-[[[(tetrahydro-2-furanyl)methyl]amino]carbonyl]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) 2.86 7.08 -20.15 2 5 0 67 352.434 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzeneacetamide, 4-amino-N-[3-[[[(tetrahydro-2-furanyl)methyl]amino]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) 1.54 4.49 -21.14 4 6 0 93 353.422 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzeneacetamide, 4-amino-N-[3-[[[(tetrahydro-2-furanyl)methyl]amino]carbonyl]phenyl]- benzeneacetamide, 4-amino-N-[3-[…

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    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) 1.54 4.51 -20.69 4 6 0 93 353.422 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzeneacetamide, a-methyl-4-(2-methylpropyl)-N-[3-[[[(tetrahydro-2-furanyl)methyl]amino]carbonyl]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) 4.56 9.83 -19.77 2 5 0 67 408.542 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzeneacetamide, a-methyl-4-(2-methylpropyl)-N-[3-[[[(tetrahydro-2-furanyl)methyl]amino]carbonyl]phenyl]- benzeneacetamide, a-methyl-4-(2-…

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    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) 4.56 9.84 -20.05 2 5 0 67 408.542 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzeneacetamide, a-methyl-4-(2-methylpropyl)-N-[3-[[[(tetrahydro-2-furanyl)methyl]amino]carbonyl]phenyl]- benzeneacetamide, a-methyl-4-(2-…

    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) 4.56 9.85 -19.29 2 5 0 67 408.542 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzeneacetamide, a-methyl-4-(2-methylpropyl)-N-[3-[[[(tetrahydro-2-furanyl)methyl]amino]carbonyl]phenyl]- benzeneacetamide, a-methyl-4-(2-…

    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) 4.56 9.86 -19.61 2 5 0 67 408.542 8 ↓

    Parameters Provided:

    ring.id = 102332
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 = 102332 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=102332&filter.purchasability=annotated

    Embed Link to Results

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