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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl-phenyl-BLAH 2-[5-methyl-3-(trifluoromethyl)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) 2.71 3.6 -13.28 0 8 0 78 412.379 5 ↓

Analogs

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Popular Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl-phenyl-BLAH 2-(3,5-dimethyl-4-nitro-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) 1.68 12.64 -14.17 0 11 0 125 403.406 5 ↓

Analogs

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Popular Name: 2-(4-chloropyrazol-1-yl)ethyl-phenyl-BLAH 2-(4-chloropyrazol-1-yl)ethyl-ph…

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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) 1.96 1.42 -11.74 0 8 0 78 364.8 4 ↓

Analogs

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Popular Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl-phenyl-BLAH 2-(4-bromo-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) 2.53 12.47 -12.09 0 8 0 79 437.305 4 ↓

Analogs

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Popular Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-phenyl-BLAH 2-(3,5-dimethylpyrazol-1-yl)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) 1.80 1.71 -13.8 0 8 0 78 358.409 4 ↓

Analogs

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Popular Name: 2-(4-nitropyrazol-1-yl)ethyl-phenyl-BLAH 2-(4-nitropyrazol-1-yl)ethyl-phe…

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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) 1.24 11.54 -15.32 0 11 0 125 375.352 5 ↓

Analogs

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Popular Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl-phenyl-BLAH 2-(5-methyl-3-nitro-pyrazol-1-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) 1.66 12.98 -16.83 0 11 0 125 389.379 5 ↓

Analogs

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Popular Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethyl-phenyl-BLAH 2-(4-chloro-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) 2.40 1.56 -12.08 0 8 0 78 392.854 4 ↓

Analogs

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Popular Name: 2-(4-methylpyrazol-1-yl)ethyl-phenyl-BLAH 2-(4-methylpyrazol-1-yl)ethyl-ph…

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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) 1.73 1.9 -12.2 0 8 0 78 344.382 4 ↓

Analogs

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Popular Name: 2-(3-nitropyrazol-1-yl)ethyl-phenyl-BLAH 2-(3-nitropyrazol-1-yl)ethyl-phe…

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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) 1.44 12.51 -18.03 0 11 0 125 375.352 5 ↓

Analogs

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Popular Name: [(1R)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-methyl-ethyl]-phenyl-BLAH [(1R)-2-(3,5-dimethyl-4-nitro-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) 2.01 12.77 -14.88 0 11 0 125 417.433 5 ↓

Analogs

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Popular Name: [(1S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-methyl-ethyl]-phenyl-BLAH [(1S)-2-(3,5-dimethyl-4-nitro-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) 2.01 13.21 -13.57 0 11 0 125 417.433 5 ↓

Analogs

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Popular Name: [(1S)-2-(4-bromopyrazol-1-yl)-1-methyl-ethyl]-phenyl-BLAH [(1S)-2-(4-bromopyrazol-1-yl)-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) 2.42 12.02 -12.23 0 8 0 79 423.278 4 ↓

Analogs

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Popular Name: [(1R)-2-(4-bromopyrazol-1-yl)-1-methyl-ethyl]-phenyl-BLAH [(1R)-2-(4-bromopyrazol-1-yl)-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) 2.42 12.05 -11.18 0 8 0 79 423.278 4 ↓

Analogs

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Popular Name: [(1R)-2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-methyl-ethyl]-phenyl-BLAH [(1R)-2-(4-bromo-3,5-dimethyl-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) 2.86 12.58 -12.95 0 8 0 79 451.332 4 ↓

Analogs

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Popular Name: [(1S)-2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-methyl-ethyl]-phenyl-BLAH [(1S)-2-(4-bromo-3,5-dimethyl-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) 2.86 13.03 -11.37 0 8 0 79 451.332 4 ↓

Analogs

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Popular Name: [(1R)-1-methyl-2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]-phenyl-BLAH [(1R)-1-methyl-2-(5-methyl-3-nit…

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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) 1.98 13.14 -18.4 0 11 0 125 403.406 5 ↓

Analogs

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Popular Name: [(1S)-1-methyl-2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]-phenyl-BLAH [(1S)-1-methyl-2-(5-methyl-3-nit…

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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) 1.98 13.08 -18.19 0 11 0 125 403.406 5 ↓

Analogs

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Popular Name: [(1R)-1-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-phenyl-BLAH [(1R)-1-methyl-2-[5-methyl-3-(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) 3.03 12.43 -14.61 0 8 0 79 426.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-phenyl-BLAH [(1S)-1-methyl-2-[5-methyl-3-(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) 3.03 12.36 -14.52 0 8 0 79 426.406 5 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 241495 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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