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

    Analogs

    39724018
    39724018
    6237386
    6237386

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-chlorophenyl)-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-acetamide 2-(2-chlorophenyl)-N-[5-[(2-fluo…

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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) 4.70 0.04 -17.21 1 4 0 54 393.896 6 ↓

    Analogs

    8816574
    8816574

    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) 6.68 13.52 -15.76 1 4 0 55 446.041 8 ↓
    Hi High (pH 8-9.5) 6.87 11.94 -48.68 0 4 -1 61 445.033 8 ↓

    Analogs

    39723969
    39723969
    39723970
    39723970
    39723971
    39723971
    39723973
    39723973
    39724029
    39724029

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(3-fluorophenyl)acetamide N-(5-benzylsulfanyl-1,3,4-thiadi…

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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) 4.09 9.92 -17.57 1 4 0 55 359.451 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-chlorophenyl)acetamide N-(5-benzylsulfanyl-1,3,4-thiadi…

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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) 4.58 10.29 -15.46 1 4 0 55 375.906 6 ↓

    Analogs

    6237458
    6237458

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(3-methoxyphenyl)acetamide N-(5-benzylsulfanyl-1,3,4-thiadi…

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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) 3.99 9.15 -17.97 1 5 0 64 371.487 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-nitrophenyl)acetamide N-(5-benzylsulfanyl-1,3,4-thiadi…

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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) 3.91 10.57 -22.03 1 7 0 101 386.458 7 ↓

    Parameters Provided:

    ring.id = 5685
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 = 5685 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=5685&filter.purchasability=annotated

    Embed Link to Results

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