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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) 2.43 0.63 -14.78 0 7 0 72 372.421 6 ↓

    Analogs

    26143109
    26143109
    16603122
    16603122
    20149395
    20149395

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-ethylphenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone (4-ethylphenyl)-[4-(5-methylfura…

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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) 2.22 8.53 -12.66 0 5 0 54 326.396 3 ↓

    Analogs

    26145485
    26145485

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(3,5-difluorobenzoyl)piperazin-1-yl]-(2-furyl)methanone [4-(3,5-difluorobenzoyl)piperazi…

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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) 1.34 6.43 -10.66 0 5 0 54 320.295 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]sulfanyl-N,N-dimethyl-acetamide 2-[2-[4-(furan-2-carbonyl)pipera…

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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) 0.38 7.72 -25.04 0 7 0 74 401.488 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone [3,4-dimethoxy-5-[(E)-prop-1-eny…

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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) 1.78 7.57 -13.33 0 7 0 72 384.432 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [3-(difluoromethoxy)phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone [3-(difluoromethoxy)phenyl]-[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) 1.68 5.82 -15.95 0 6 0 63 350.321 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(2-hydroxy-4-methoxy-benzoyl)piperazin-1-yl]-(5-methyl-2-furyl)methanone [4-(2-hydroxy-4-methoxy-benzoyl)…

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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) 1.83 4.57 -16.28 1 7 0 83 344.367 3 ↓
    Hi High (pH 8-9.5) 1.83 5.49 -55.36 0 7 -1 86 343.359 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-(5-methyl-2-furyl)methanone [4-[3-(dimethylamino)benzoyl]pip…

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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) 1.39 7.47 -13.78 0 6 0 57 341.411 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-hydroxy-4-methyl-phenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone (2-hydroxy-4-methyl-phenyl)-[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) 2.22 5.94 -15.32 1 6 0 74 328.368 2 ↓
    Hi High (pH 8-9.5) 2.22 6.87 -57.78 0 6 -1 77 327.36 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(5-chlorofuran-2-carbonyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone [4-(5-chlorofuran-2-carbonyl)pip…

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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) 1.38 4 -12.73 1 6 0 74 334.759 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(5-chloro-2-hydroxy-benzoyl)piperazin-1-yl]-(5-methyl-2-furyl)methanone [4-(5-chloro-2-hydroxy-benzoyl)p…

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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) 2.45 5.76 -13.63 1 6 0 74 348.786 2 ↓
    Hi High (pH 8-9.5) 2.45 6.35 -48.9 0 6 -1 77 347.778 2 ↓

    Parameters Provided:

    ring.id = 4446
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 = 4446 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=4446&filter.purchasability=annotated

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