• Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245
    • 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) 1.80 5.62 -13.76 1 7 0 94 338.414 7 ↓
    Hi High (pH 8-9.5) 1.98 4.19 -41.66 0 7 -1 100 337.406 7 ↓

    Analogs

    40171004
    40171004
    40171005
    40171005
    40171205
    40171205
    40171206
    40171206
    26478408
    26478408

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    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) 2.15 6.75 -17.16 1 7 0 94 352.441 8 ↓

    Analogs

    4759831
    4759831
    4093469
    4093469

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    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) 3.09 -2.57 -11.22 3 8 0 120 395.51 8 ↓
    Lo Low (pH 4.5-6) 3.09 -2.35 -35.64 4 8 1 121 396.518 8 ↓

    Analogs

    7461841
    7461841

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    Popular Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-tert-butylthiazol-2-yl)-acetamide 2-(4-amino-5-cyano-pyrimidin-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) 2.63 -2.52 -11.86 3 7 0 117 348.457 5 ↓
    Lo Low (pH 4.5-6) 2.63 -2.33 -50.35 4 7 1 118 349.465 5 ↓
    Lo Low (pH 4.5-6) 2.63 -2.3 -42.19 4 7 1 118 349.465 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) 1.50 -2.9 -15.35 3 8 0 120 353.429 7 ↓
    Lo Low (pH 4.5-6) 1.50 -2.78 -45.34 4 8 1 121 354.437 7 ↓

    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) 1.50 -2.88 -15.24 3 8 0 120 353.429 7 ↓
    Lo Low (pH 4.5-6) 1.50 -2.76 -45.16 4 8 1 121 354.437 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-N-(4-methylthiazol-2-yl)acetamide 2-(4-amino-6-methyl-pyrimidin-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) 1.61 3.34 -12.94 3 6 0 94 295.393 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methylthiazol-2-yl)acetamide 2-(4,6-dimethylpyrimidin-2-yl)su…

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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) 2.23 5.74 -17.64 1 5 0 68 294.405 4 ↓
    Hi High (pH 8-9.5) 2.41 4.52 -49.37 0 5 -1 74 293.397 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-ethyl-5-methyl-thiazol-2-yl)-2-pyrimidin-2-ylsulfanyl-acetamide N-(4-ethyl-5-methyl-thiazol-2-yl…

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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) 2.14 5.44 -13.1 1 5 0 68 294.405 5 ↓

    Analogs

    39752761
    39752761
    39752762
    39752762
    39753134
    39753134
    39753135
    39753135

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    Popular Name: (2R)-N-(4,5-dimethylthiazol-2-yl)-2-pyrimidin-2-ylsulfanyl-propanamide (2R)-N-(4,5-dimethylthiazol-2-yl…

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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) 1.93 5.97 -17.79 1 5 0 68 294.405 4 ↓

    Analogs

    39752761
    39752761
    39752762
    39752762
    39753134
    39753134
    39753135
    39753135

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N-(4,5-dimethylthiazol-2-yl)-2-pyrimidin-2-ylsulfanyl-propanamide (2S)-N-(4,5-dimethylthiazol-2-yl…

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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) 1.93 5.96 -17.8 1 5 0 68 294.405 4 ↓

    Parameters Provided:

    ring.id = 4473
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 = 4473 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=4473&filter.purchasability=annotated

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    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245