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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%


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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) 2.35 4.38 -9.85 0 5 0 56 311.403 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)aniline 4-(1,4-dioxa-8-azaspiro[4.5]deca…

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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) 0.60 -7.25 -10.71 2 6 0 82 298.364 2 ↓

    Analogs

    19726930
    19726930

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    Popular Name: 2-[(2R)-8-(benzenesulfonyl)-1,4-dioxa-8-azaspiro[4.5]decan-2-yl]acetonitrile 2-[(2R)-8-(benzenesulfonyl)-1,4-…

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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) 0.97 4.66 -17.32 0 6 0 80 322.386 3 ↓

    Analogs

    19726929
    19726929

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    Popular Name: 2-[(2S)-8-(benzenesulfonyl)-1,4-dioxa-8-azaspiro[4.5]decan-2-yl]acetonitrile 2-[(2S)-8-(benzenesulfonyl)-1,4-…

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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) 0.97 4.71 -17.83 0 6 0 80 322.386 3 ↓

    Analogs

    14253053
    14253053

    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) 2.83 6.04 -9.24 0 5 0 56 339.457 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 8-(3,4-dimethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane 8-(3,4-dimethylphenyl)sulfonyl-1…

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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) 2.35 4.58 -9.88 0 5 0 56 311.403 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 8-(2,5-dimethoxyphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane 8-(2,5-dimethoxyphenyl)sulfonyl-…

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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) 1.57 2.42 -13.08 0 7 0 74 343.401 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 8-(3,4-dimethoxyphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane 8-(3,4-dimethoxyphenyl)sulfonyl-…

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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) 1.18 2.57 -12.16 0 7 0 74 343.401 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 8-(2,4-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane 8-(2,4-difluorophenyl)sulfonyl-1…

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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) 1.78 3.35 -8.75 0 5 0 56 319.329 2 ↓

    Analogs

    6699387
    6699387

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    Popular Name: 8-(2,3,5,6-tetramethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane 8-(2,3,5,6-tetramethylphenyl)sul…

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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) 3.11 5.83 -8.98 0 5 0 56 339.457 2 ↓

    Parameters Provided:

    ring.id = 3648
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 = 3648 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=3648&filter.purchasability=annotated

    Embed Link to Results

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