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    line: 245
    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    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) 1.48 3.91 -12.17 1 6 0 65 273.292 4 ↓

    Analogs

    20614873
    20614873
    36615522
    36615522
    36615523
    36615523

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic 3-[[(1R)-1-(1,3-benzodioxol-5-yl…

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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) 1.17 4.51 -66.42 1 8 -1 106 316.293 4 ↓

    Analogs

    36615522
    36615522
    36615523
    36615523
    20614871
    20614871

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic 3-[[(1S)-1-(1,3-benzodioxol-5-yl…

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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) 1.17 4.5 -66.13 1 8 -1 106 316.293 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[1-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]-5-methyl-4-nitro-1H-pyrazole-3-carboxamide N-[1-(1,3-benzodioxol-5-yl)-1-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) 2.15 4.45 -15.92 2 9 0 122 332.316 4 ↓
    Hi High (pH 8-9.5) 2.15 4.32 -38.9 1 9 -1 120 331.308 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-5-isopropyl-1H-pyrazole-3-carboxamide N-(1,3-benzodioxol-5-ylmethyl)-5…

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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) 2.32 3.66 -10.17 2 6 0 76 287.319 4 ↓

    Parameters Provided:

    ring.id = 3886
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 = 3886 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=3886&filter.purchasability=annotated

    Embed Link to Results

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