UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25102589
25102589
8250136
8250136

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Popular Name: N-benzyl-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-methyl-acetamide N-benzyl-2-(3,5-dimethyl-1-pheny…

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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) 2.96 11.5 -15.83 0 4 0 38 333.435 5 ↓

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-2-[3,5-dimethyl-1-(o-tolyl)pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamid N-(2-dimethylaminoethyl)-2-[3,5-…

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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) 3.77 4.63 -63.35 1 5 1 43 423.556 8 ↓

Analogs

13008508
13008508

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Popular Name: 2-(1-phenylpyrazol-4-yl)-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]acetamide 2-(1-phenylpyrazol-4-yl)-N-[(1R)…

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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) 1.50 4.3 -23.49 3 7 0 107 384.461 6 ↓

Analogs

13008507
13008507

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Popular Name: 2-(1-phenylpyrazol-4-yl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]acetamide 2-(1-phenylpyrazol-4-yl)-N-[(1S)…

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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) 1.50 4.29 -22.98 3 7 0 107 384.461 6 ↓

Analogs

13012066
13012066

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Popular Name: 2-(1-phenylpyrazol-4-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide 2-(1-phenylpyrazol-4-yl)-N-[(1R)…

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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 10.36 -16.45 1 4 0 47 373.378 6 ↓

Analogs

13012065
13012065

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Popular Name: 2-(1-phenylpyrazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide 2-(1-phenylpyrazol-4-yl)-N-[(1S)…

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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 10.36 -16.75 1 4 0 47 373.378 6 ↓

Analogs

31814007
31814007

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Popular Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide 2-(3,5-dimethyl-1-phenyl-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) 1.41 4.36 -22.48 3 7 0 107 398.488 6 ↓

Analogs

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Popular Name: N-[(2-hydroxy-5-methoxy-phenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide N-[(2-hydroxy-5-methoxy-phenyl)m…

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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 4.95 -15.51 2 6 0 76 337.379 6 ↓

Parameters Provided:

ring.id = 51551
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 = 51551 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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