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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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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) 1.68 4.16 -21.54 2 7 0 101 325.419 6 ↓
    Hi High (pH 8-9.5) 1.87 3.16 -42.44 1 7 -1 107 324.411 6 ↓

    Analogs

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    Popular Name: 2-(4-amino-6-hydroxy-pyrimidin-2-yl)sulfanyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide 2-(4-amino-6-hydroxy-pyrimidin-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) 1.63 3.1 -23.52 4 8 0 127 340.434 7 ↓
    Hi High (pH 8-9.5) 1.81 1.88 -45.45 3 8 -1 133 339.426 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide 2-[(4-amino-6-oxo-1,6-dihydro-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) 0.86 -4.77 -23.97 4 8 0 126 326.407 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide 2-[(4-amino-6-oxo-1,6-dihydro-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) 0.86 -4.8 -23.94 4 8 0 126 326.407 5 ↓

    Parameters Provided:

    ring.id = 8889
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 = 8889 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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