• Notice: Undefined index: synonym
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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    Analogs

    12865189
    12865189

    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) 2.24 -1.6 -17.4 1 5 0 62 317.414 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-butanoyl-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide 1-butanoyl-N-(6-methoxy-1,3-benz…

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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) 3.27 7.51 -19.29 1 6 0 72 361.467 5 ↓

    Analogs

    24361729
    24361729

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1,3-benzothiazol-2-yl)-1-butanoyl-piperidine-4-carboxamide N-(1,3-benzothiazol-2-yl)-1-buta…

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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) 3.23 8.23 -19.75 1 5 0 62 331.441 4 ↓

    Analogs

    12865165
    12865165
    8061910
    8061910
    8061911
    8061911

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-butanoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide 1-butanoyl-N-(6-ethoxy-1,3-benzo…

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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) 3.64 8.44 -18.84 1 6 0 72 375.494 6 ↓

    Analogs

    12865036
    12865036

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide 1-butanoyl-N-(6-methyl-1,3-benzo…

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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) 3.66 8.88 -19.32 1 5 0 62 345.468 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-mesyl-isonipecotamide N-[6-(difluoromethoxy)-1,3-benzo…

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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) 2.44 -4.82 -22.15 1 7 0 88 405.448 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-mesyl-N-(6-methyl-1,3-benzothiazol-2-yl)isonipecotamide 1-mesyl-N-(6-methyl-1,3-benzothi…

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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) 2.28 -5.49 -20.59 1 6 0 79 353.469 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-methyl-piperidine-4-carboxamide N-(6-chloro-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) 2.78 6.37 -46.31 3 4 1 59 310.83 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide 4-methyl-N-(6-methyl-1,3-benzoth…

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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) 2.55 6.51 -46.79 3 4 1 59 290.412 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-piperidine-4-carboxamide N-(6-methoxy-1,3-benzothiazol-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) 2.16 5.14 -47.38 3 5 1 68 306.411 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1,3-benzothiazol-2-yl)-4-methyl-piperidine-4-carboxamide N-(1,3-benzothiazol-2-yl)-4-meth…

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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) 2.12 5.86 -47.05 3 4 1 59 276.385 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-ethyl-piperidine-4-carboxamide N-(6-chloro-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) 3.11 6.85 -47.85 3 4 1 59 324.857 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide 4-ethyl-N-(6-methyl-1,3-benzothi…

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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) 2.88 6.99 -48.28 3 4 1 59 304.439 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1,3-benzothiazol-2-yl)-4-ethyl-piperidine-4-carboxamide N-(1,3-benzothiazol-2-yl)-4-ethy…

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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) 2.46 6.34 -48.53 3 4 1 59 290.412 3 ↓

    Analogs

    8061982
    8061982

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1,3-benzothiazol-2-yl)-4-propyl-piperidine-4-carboxamide N-(1,3-benzothiazol-2-yl)-4-prop…

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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) 3.02 7.1 -48.91 3 4 1 59 304.439 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-1-prop-2-ynyl-piperidine-4-carboxamide N-(6-fluoro-4-methoxy-1,3-benzot…

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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) 2.76 5.61 -12.18 1 5 0 54 347.415 4 ↓
    Mid Mid (pH 6-8) 2.76 7.89 -49.95 2 5 1 56 348.423 4 ↓

    Parameters Provided:

    ring.id = 4402
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 = 4402 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245