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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2798432
2798432
28576588
28576588
2797707
2797707

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Popular Name: N-benzyl-1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxamide N-benzyl-1-[(4-chloro-3,5-dimeth…

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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) 4.32 -0.75 -9.16 1 5 0 56 369.852 6 ↓

Analogs

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Popular Name: 1-[(2-fluorophenoxy)methyl]-N-(4-methylbenzyl)pyrazole-3-carboxamide 1-[(2-fluorophenoxy)methyl]-N-(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) 3.45 -0.16 -11.1 1 5 0 56 339.37 6 ↓

Analogs

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Popular Name: N-(2-chlorobenzyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide N-(2-chlorobenzyl)-1-[(2-fluorop…

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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) 3.63 -0.67 -11.95 1 5 0 56 359.788 6 ↓

Analogs

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Popular Name: N-(2-chlorobenzyl)-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide N-(2-chlorobenzyl)-1-[(3,5-dimet…

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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) 4.34 -0.76 -9.61 1 5 0 56 369.852 6 ↓

Analogs

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Popular Name: 1-[(3-chlorophenoxy)methyl]-N-(4-fluorobenzyl)pyrazole-3-carboxamide 1-[(3-chlorophenoxy)methyl]-N-(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) 3.70 -0.63 -9.23 1 5 0 56 359.788 6 ↓

Analogs

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Popular Name: N-benzyl-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide N-benzyl-1-[(3,5-dimethylphenoxy…

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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) 3.71 -0.58 -8.75 1 5 0 56 335.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorobenzyl)-1-[(3-chlorophenoxy)methyl]pyrazole-3-carboxamide N-(2-chlorobenzyl)-1-[(3-chlorop…

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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 -1.55 -9.74 1 5 0 56 376.243 6 ↓

Analogs

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Popular Name: N-benzyl-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide N-benzyl-1-[(2,4-dimethylphenoxy…

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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) 3.71 -0.5 -8.73 1 5 0 56 335.407 6 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-(phenoxymethyl)pyrazole-3-carboxamide N-[(1R)-1-(2,4-dimethylphenyl)et…

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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 0.19 -9.21 1 5 0 56 349.434 6 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(phenoxymethyl)pyrazole-3-carboxamide N-[(1S)-1-(2,4-dimethylphenyl)et…

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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 0.52 -10.3 1 5 0 56 349.434 6 ↓

Analogs

2798840
2798840

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-chloro-5-methyl-phenoxy)methyl]-N-(4-fluorobenzyl)pyrazole-3-carboxamide 1-[(2-chloro-5-methyl-phenoxy)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) 4.11 -0.26 -9.94 1 5 0 56 373.815 6 ↓

Analogs

2798840
2798840

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-1-[(2-chloro-5-methyl-phenoxy)methyl]pyrazole-3-carboxamide N-benzyl-1-[(2-chloro-5-methyl-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) 3.94 -1 -9.61 1 5 0 56 355.825 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorobenzyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide N-(2-chlorobenzyl)-1-[(2,5-dimet…

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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) 4.34 -0.68 -9.59 1 5 0 56 369.852 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide N-benzyl-1-[(2,5-dimethylphenoxy…

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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) 3.71 -0.5 -8.65 1 5 0 56 335.407 6 ↓

Parameters Provided:

ring.id = 240282
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 = 240282 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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