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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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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) 3.61 8.98 -11.61 1 7 0 77 448.474 6 ↓

    Analogs

    2794038
    2794038
    2794039
    2794039

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(5-chloro-2-thienyl)-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)pyr 5-(5-chloro-2-thienyl)-N-[(1-eth…

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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) 4.46 11.55 -9.96 0 7 0 68 496.946 6 ↓

    Analogs

    2793362
    2793362
    2793515
    2793515

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-chloro-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-methyl-5-(2-thienyl)-7-(trifluoromethyl)pyr 3-chloro-N-[(1-ethyl-3,5-dimethy…

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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) 4.26 11.49 -12.25 0 7 0 68 496.946 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(5-chloro-2-thienyl)-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine 5-(5-chloro-2-thienyl)-N-[(1-met…

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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) 3.39 7.41 -11 1 7 0 77 440.838 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-5-(5-ethyl-2-thienyl)-N-methyl-7-(trifluoromethyl)pyra N-[(1-ethyl-3,5-dimethyl-pyrazol…

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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) 4.45 12.51 -11.24 0 7 0 68 490.555 7 ↓

    Analogs

    2794072
    2794072
    2794156
    2794156
    2808263
    2808263
    2753589
    2753589
    674094
    674094

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine 3-chloro-N-[(1-methylpyrazol-4-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) 3.20 7.41 -13.44 1 7 0 77 440.838 5 ↓

    Analogs

    2794127
    2794127
    654018
    654018
    654020
    654020

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(5-chloro-2-thienyl)-N-[(1R)-1-(1-ethyl-5-methyl-pyrazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1 5-(5-chloro-2-thienyl)-N-[(1R)-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) 4.55 9.63 -10.75 1 7 0 77 482.919 6 ↓

    Analogs

    2794127
    2794127
    654018
    654018
    654020
    654020

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(5-chloro-2-thienyl)-N-[(1S)-1-(1-ethyl-5-methyl-pyrazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1 5-(5-chloro-2-thienyl)-N-[(1S)-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) 4.55 9.65 -10.79 1 7 0 77 482.919 6 ↓

    Analogs

    2793362
    2793362
    2793494
    2793494

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine- 3-chloro-N-[(1-ethylpyrazol-4-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) 3.57 8.27 -13.06 1 7 0 77 454.865 6 ↓

    Analogs

    2793213
    2793213
    2794038
    2794038

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(5-chloro-2-thienyl)-N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]p 5-(5-chloro-2-thienyl)-N-[(1-eth…

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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) 3.99 8.83 -10.38 1 7 0 77 468.892 6 ↓

    Analogs

    2794142
    2794142

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-chloro-N-[(1R)-1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1 3-chloro-N-[(1R)-1-(1-ethyl-3-me…

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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) 4.35 9.55 -12.78 1 7 0 77 482.919 6 ↓

    Analogs

    2794141
    2794141

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-chloro-N-[(1S)-1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1 3-chloro-N-[(1S)-1-(1-ethyl-3-me…

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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) 4.35 9.54 -12.81 1 7 0 77 482.919 6 ↓

    Analogs

    2793362
    2793362
    2793494
    2793494

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-chloro-N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]p 3-chloro-N-[(1-ethyl-5-methyl-py…

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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) 3.79 8.73 -12.73 1 7 0 77 468.892 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(5-ethyl-2-thienyl)-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine- 5-(5-ethyl-2-thienyl)-N-[(1-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) 3.38 8.42 -11.5 1 7 0 77 434.447 6 ↓
    Mid Mid (pH 6-8) 3.45 7.1 -42.77 2 7 1 82 435.455 6 ↓

    Analogs

    2794257
    2794257

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]-5-(5-ethyl-2-thienyl)-7-(trifluoromethyl)pyrazolo[1, N-[(1S)-1-(1-ethyl-3-methyl-pyra…

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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) 4.54 10.65 -11.18 1 7 0 77 476.528 7 ↓

    Analogs

    2794256
    2794256

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]-5-(5-ethyl-2-thienyl)-7-(trifluoromethyl)pyrazolo[1, N-[(1R)-1-(1-ethyl-3-methyl-pyra…

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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) 4.54 10.66 -11.28 1 7 0 77 476.528 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-5-(5-ethyl-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]py N-[(1-ethyl-5-methyl-pyrazol-4-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) 3.98 9.8 -11.07 1 7 0 77 462.501 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-chloro-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]p 3-chloro-N-[(1-ethyl-3-methyl-py…

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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) 3.79 8.75 -12.79 1 7 0 77 468.892 6 ↓

    Parameters Provided:

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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 = 236267 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=236267&filter.purchasability=annotated

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