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

    Analogs

    34526727
    34526727
    34527003
    34527003
    34527006
    34527006
    598468
    598468

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    Popular Name: 3-pyridinecarboxamide, N-[4-[[(4-methoxyphenyl)amino]sulfonyl]phenyl]- 3-pyridinecarboxamide, N-[4-[[(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) 2.41 3.86 -15.91 2 7 0 97 383.429 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-pyridinecarboxamide, N-[4-[[(3,4-dimethylphenyl)amino]sulfonyl]phenyl]- 3-pyridinecarboxamide, N-[4-[[(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) 3.18 5.77 -15.17 2 6 0 88 381.457 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(phenylsulfamoyl)phenyl]pyridine-3-carboxamide N-[4-(phenylsulfamoyl)phenyl]pyr…

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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) 2.36 4.57 -15.16 2 6 0 88 353.403 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-pyridinecarboxamide, N-[4-[[(2,6-dimethylphenyl)amino]sulfonyl]phenyl]- 3-pyridinecarboxamide, N-[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) 3.16 6.21 -14.51 2 6 0 88 381.457 5 ↓

    Analogs

    6703701
    6703701

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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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) 3.56 6.87 -14.36 2 6 0 88 395.484 5 ↓
    Hi High (pH 8-9.5) 3.56 6.94 -48.19 1 6 -1 90 394.476 5 ↓

    Parameters Provided:

    ring.id = 90987
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 = 90987 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=90987&filter.purchasability=annotated

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