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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: 5-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzothiophene-2-carboxamide 5-amino-N-methyl-N-[(1-methylpyr…

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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 5.43 -12.07 2 5 0 64 300.387 3 ↓

Analogs

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Popular Name: 5-amino-N-(1H-pyrazol-4-ylmethyl)benzothiophene-2-carboxamide 5-amino-N-(1H-pyrazol-4-ylmethyl…

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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) 1.10 2.39 -10.8 4 5 0 84 272.333 3 ↓

Analogs

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Popular Name: 7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzothiophene- 7-bromo-3-chloro-4-(difluorometh…

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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) 4.73 1.13 -16.2 0 5 0 47 492.773 5 ↓

Analogs

2794296
2794296
2794623
2794623

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Popular Name: 3-chloro-6-(difluoromethoxy)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]benzothiophene-2-carboxamide 3-chloro-6-(difluoromethoxy)-N-[…

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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) 4.09 0.35 -13.67 1 5 0 56 399.85 5 ↓

Analogs

2794623
2794623
2794295
2794295

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Popular Name: 3-chloro-6-(difluoromethoxy)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]benzothiophene-2-carboxamide 3-chloro-6-(difluoromethoxy)-N-[…

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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) 4.09 0.38 -13.68 1 5 0 56 399.85 5 ↓

Analogs

2794623
2794623
2794751
2794751

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Popular Name: 3-chloro-4-(difluoromethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzothiophene-2-carboxamide 3-chloro-4-(difluoromethoxy)-N-[…

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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) 3.73 -0.14 -13.94 1 5 0 56 399.85 5 ↓

Analogs

2794295
2794295
2794296
2794296

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-6-(difluoromethoxy)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzothiophene-2-carboxamide 3-chloro-6-(difluoromethoxy)-N-[…

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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) 3.53 6.31 -12.42 1 5 0 56 385.823 5 ↓

Analogs

2796755
2796755
2796832
2796832
2796939
2796939
2794614
2794614

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Popular Name: 3-chloro-4-(difluoromethoxy)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzothiophene-2-carboxamide 3-chloro-4-(difluoromethoxy)-N-[…

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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) 3.51 -0.2 -13.87 1 5 0 56 385.823 5 ↓

Analogs

2794751
2794751

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Popular Name: 7-bromo-3-chloro-4-(difluoromethoxy)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzothiophene-2-carboxamid 7-bromo-3-chloro-4-(difluorometh…

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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) 4.27 7.07 -11.88 1 5 0 56 464.719 5 ↓

Analogs

2796939
2796939
2794751
2794751

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-3-chloro-4-(difluoromethoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzothiophene-2-carboxamid 7-bromo-3-chloro-4-(difluorometh…

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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) 4.27 7.2 -12.12 1 5 0 56 464.719 5 ↓

Analogs

2794751
2794751
2796832
2796832

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Popular Name: 7-bromo-3-chloro-4-(difluoromethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzothiophene-2-carboxa 7-bromo-3-chloro-4-(difluorometh…

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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) 4.49 7.61 -12.05 1 5 0 56 478.746 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-3-chloro-4-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzothiophene-2-carboxamide 7-bromo-3-chloro-4-(difluorometh…

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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) 4.05 6.64 -12.12 1 5 0 56 450.692 5 ↓

Analogs

37983265
37983265

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Popular Name: N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzothiophene-2-carboxamide N-(2-methoxyethyl)-N-[(1-methylp…

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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) 2.34 8.05 -13.05 0 5 0 47 329.425 6 ↓

Analogs

37983299
37983299

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzothiophene-2-carboxamide 3-methyl-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) 2.49 6.42 -10.4 1 4 0 47 285.372 3 ↓

Analogs

37983263
37983263
37983265
37983265

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-methylpyrazol-4-yl)methyl]benzothiophene-2-carboxamide N-[(1-methylpyrazol-4-yl)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) 2.11 5.85 -10.84 1 4 0 47 271.345 3 ↓

Parameters Provided:

ring.id = 16030
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 = 16030 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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