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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide 2-[(6-amino-3,5-dicyano-2-pyridy…

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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) 2.24 5.88 -20.76 3 8 0 138 396.457 5 ↓

    Analogs

    4912648
    4912648

    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) 3.40 -2.45 -14.85 1 5 0 64 345.449 6 ↓
    Lo Low (pH 4.5-6) 4.33 -2.31 -47.25 2 5 1 68 346.457 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

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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) 3.70 10.24 -17.97 1 7 0 105 426.523 7 ↓

    Analogs

    16583191
    16583191
    8741260
    8741260

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-pyridylsulfanyl)acetamide N-(6-methyl-1,3-benzothiazol-2-y…

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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) 3.42 7.8 -15.41 1 4 0 55 315.423 4 ↓
    Lo Low (pH 4.5-6) 3.42 8.08 -47.18 2 4 1 56 316.431 4 ↓

    Analogs

    8741260
    8741260

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide 2-[(3-amino-2-pyridyl)sulfanyl]-…

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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) 2.43 4.77 -12.55 3 5 0 81 316.411 4 ↓
    Hi High (pH 8-9.5) 2.62 3.35 -47.59 2 5 -1 87 315.403 4 ↓

    Analogs

    8741260
    8741260

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(5-amino-2-pyridyl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide 2-[(5-amino-2-pyridyl)sulfanyl]-…

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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) 2.65 4.69 -12.95 3 5 0 81 316.411 4 ↓
    Hi High (pH 8-9.5) 2.84 3.29 -48.51 2 5 -1 87 315.403 4 ↓

    Parameters Provided:

    ring.id = 51057
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 = 51057 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=51057&filter.purchasability=annotated

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