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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    Draw Identity 99% 90% 80% 70%


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

    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) 1.94 -1.55 -10.42 2 6 0 86 343.206 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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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) 1.37 4.5 -12.21 3 7 0 99 295.368 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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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) 1.37 4.49 -12.17 3 7 0 99 295.368 6 ↓

    Analogs

    7450429
    7450429
    11322831
    11322831
    11322832
    11322832

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)propanamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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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) 1.32 -3.83 -19.41 4 9 0 128 352.42 5 ↓

    Analogs

    11322831
    11322831
    11322832
    11322832
    7450421
    7450421

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)propanamide 2-[[4-amino-5-(2-furyl)-1,2,4-tr…

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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) 1.33 4.99 -19.78 4 9 0 128 352.42 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-acetamide 2-[[4-ethyl-5-(2-furyl)-1,2,4-tr…

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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) 3.57 8.86 -12.62 1 6 0 73 336.461 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-cyanopropyl]-N-ethyl-acetamide 2-[[4-allyl-5-(2-furyl)-1,2,4-tr…

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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) 2.54 10.35 -15.74 0 7 0 88 359.455 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-cyanopropyl]-N-ethyl-acetamide 2-[[4-allyl-5-(2-furyl)-1,2,4-tr…

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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) 2.54 10.31 -16.27 0 7 0 88 359.455 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[3-butylsulfanyl-5-(2-furyl)-1,2,4-triazol-4-yl]propanamide 3-[3-butylsulfanyl-5-(2-furyl)-1…

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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) 2.08 5.68 -13.54 2 6 0 87 294.38 8 ↓

    Analogs

    25844398
    25844398

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(diethylamino)-2-oxo-ethyl]-2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-aceta N-[2-(diethylamino)-2-oxo-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) 1.47 9.64 -19.3 0 8 0 84 379.486 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,1,3,3-tetramethylbutyl)acetamide 2-[[4-ethyl-5-(2-furyl)-1,2,4-tr…

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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) 3.90 10.12 -11.58 1 6 0 73 364.515 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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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) 2.21 7.93 -12.96 1 8 0 99 366.443 9 ↓

    Analogs

    14558024
    14558024
    14561424
    14561424
    14561426
    14561426
    7778700
    7778700
    7778699
    7778699

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(isobutylcarbamoyl)propanamide (2S)-2-[[4-ethyl-5-(2-furyl)-1,2…

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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) 2.25 8.19 -19.38 2 8 0 102 365.459 7 ↓

    Analogs

    14561424
    14561424
    14561426
    14561426
    14558021
    14558021
    7778700
    7778700
    7778699
    7778699

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(isobutylcarbamoyl)propanamide (2R)-2-[[4-ethyl-5-(2-furyl)-1,2…

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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) 2.25 8.19 -19.29 2 8 0 102 365.459 7 ↓

    Analogs

    14561426
    14561426
    14558021
    14558021
    14558024
    14558024
    9566868
    9566868
    9566869
    9566869

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[[5-(2-furyl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-N-(isobutylcarbamoyl)propanamide (2R)-2-[[5-(2-furyl)-4-isobutyl-…

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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) 3.00 9.12 -19.12 2 8 0 102 393.513 8 ↓

    Analogs

    14558021
    14558021
    14558024
    14558024
    14561424
    14561424
    9566868
    9566868

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[5-(2-furyl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-N-(isobutylcarbamoyl)propanamide (2S)-2-[[5-(2-furyl)-4-isobutyl-…

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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) 3.00 9.13 -19.18 2 8 0 102 393.513 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide 5-[[4-ethyl-5-(2-furyl)-1,2,4-tr…

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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) 1.79 5.78 -17.88 2 6 0 87 294.38 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide 5-[[5-(2-furyl)-4-methyl-1,2,4-t…

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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) 1.41 4.88 -17.97 2 6 0 87 280.353 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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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) 4.07 10.96 -14.68 0 6 0 70 335.429 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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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) 4.07 10.95 -14.7 0 6 0 70 335.429 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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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) 1.12 6.26 -12.79 2 7 0 96 282.325 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-propanamide 3-[[4-amino-5-(2-furyl)-1,2,4-tr…

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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) -0.33 1.77 -28.73 5 9 0 142 296.312 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-tert-butoxyethylsulfanyl)-5-(2-furyl)-4-methyl-1,2,4-triazole 3-(2-tert-butoxyethylsulfanyl)-5…

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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) 2.81 7.63 -11.03 0 5 0 53 281.381 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-tert-butoxyethylsulfanyl)-4-ethyl-5-(2-furyl)-1,2,4-triazole 3-(2-tert-butoxyethylsulfanyl)-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) 3.18 8.54 -10.93 0 5 0 53 295.408 7 ↓

    Analogs

    42098289
    42098289
    22171704
    22171704
    22171707
    22171707
    22171711
    22171711
    22171714
    22171714

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[[5-(2-furyl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentyl-propanamide (2R)-2-[[5-(2-furyl)-4-isobutyl-…

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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) 4.17 9.7 -11.59 1 6 0 73 364.515 10 ↓

    Analogs

    42098287
    42098287
    22171704
    22171704
    22171707
    22171707
    22171711
    22171711
    22171714
    22171714

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[5-(2-furyl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentyl-propanamide (2S)-2-[[5-(2-furyl)-4-isobutyl-…

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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) 4.17 9.71 -11.64 1 6 0 73 364.515 10 ↓

    Analogs

    42098328
    42098328

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N-ethyl-2-[[5-(2-furyl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylallyl)propanamide (2R)-N-ethyl-2-[[5-(2-furyl)-4-i…

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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) 4.04 11.58 -11.58 0 6 0 64 376.526 9 ↓

    Analogs

    42098326
    42098326

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N-ethyl-2-[[5-(2-furyl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylallyl)propanamide (2S)-N-ethyl-2-[[5-(2-furyl)-4-i…

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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) 4.04 11.6 -11.73 0 6 0 64 376.526 9 ↓

    Analogs

    42101886
    42101886

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-propanamide (2S)-2-[[5-(2-furyl)-4-methyl-1,…

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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) 1.26 6.02 -12.39 1 6 0 73 290.348 5 ↓

    Analogs

    42101884
    42101884

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-propanamide (2R)-2-[[5-(2-furyl)-4-methyl-1,…

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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) 1.26 6.02 -12.29 1 6 0 73 290.348 5 ↓

    Parameters Provided:

    ring.id = 4324
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 = 4324 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=4324&filter.purchasability=annotated

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  • Notice: Undefined index: synonym
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    line: 245