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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: N-[[4-(4-bromophenyl)thiazol-2-yl]carbamothioyl]-2,6-dimethoxy-benzamide N-[[4-(4-bromophenyl)thiazol-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) 5.50 9.22 -24.73 2 6 0 76 478.393 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-bromo-2-chloro-N-[[4-(3-nitrophenyl)thiazol-2-yl]carbamothioyl]benzamide 5-bromo-2-chloro-N-[[4-(3-nitrop…

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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) 6.02 11.81 -23.44 2 7 0 103 497.783 5 ↓

    Analogs

    9059348
    9059348

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-bromo-2-methoxy-N-[(Z)-[4-(3-nitrophenyl)-4-thiazolin-2-ylidene]thiocarbamoyl]benzamide 5-bromo-2-methoxy-N-[(Z)-[4-(3-n…

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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) 5.95 11.26 -22.4 2 8 0 112 493.364 6 ↓
    Hi High (pH 8-9.5) 5.06 11.1 -63.34 1 8 -1 109 492.356 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,5-dichloro-2-methoxy-N-[(Z)-[4-(3-nitrophenyl)-4-thiazolin-2-ylidene]thiocarbamoyl]benzamide 3,5-dichloro-2-methoxy-N-[(Z)-[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) 6.43 11.73 -20.37 2 8 0 112 483.358 6 ↓
    Hi High (pH 8-9.5) 5.54 11.57 -57.2 1 8 -1 109 482.35 6 ↓

    Analogs

    9087979
    9087979
    2983085
    2983085

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-methyl-N-[(Z)-[4-(3-nitrophenyl)-4-thiazolin-2-ylidene]thiocarbamoyl]benzamide 3-methyl-N-[(Z)-[4-(3-nitropheny…

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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) 5.03 11.34 -25.39 2 7 0 103 398.469 5 ↓

    Analogs

    9014147
    9014147

    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) 4.58 10.8 -26.5 2 7 0 103 384.442 5 ↓
    Hi High (pH 8-9.5) 3.70 10.63 -65.46 1 7 -1 100 383.434 5 ↓

    Parameters Provided:

    ring.id = 113300
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 = 113300 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=113300&filter.purchasability=annotated

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