UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(1-methylpyrazol-4-yl)sulfonyl-4-nosyl-piperazine 1-(1-methylpyrazol-4-yl)sulfonyl…

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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) 0.39 -7.33 -20.81 0 11 0 138 415.453 5 ↓

Analogs

39973429
39973429

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Popular Name: 1-(4-chlorophenyl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonyl-piperazine 1-(4-chlorophenyl)sulfonyl-4-(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) 1.11 -7.99 -17.54 0 8 0 92 404.901 4 ↓

Analogs

39973429
39973429

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Popular Name: 1-(1-methylpyrazol-4-yl)sulfonyl-4-tosyl-piperazine 1-(1-methylpyrazol-4-yl)sulfonyl…

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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) 0.88 -7.52 -17.92 0 8 0 92 384.483 4 ↓

Analogs

36615028
36615028
36615052
36615052

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Popular Name: 1-(4-chlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonyl-piperazine 1-(4-chlorophenyl)sulfonyl-4-(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) 1.33 -7.8 -18.7 0 8 0 92 418.928 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-nosyl-piperazine 1-(1,5-dimethylpyrazol-4-yl)sulf…

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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) 0.61 -7.14 -21.75 0 11 0 138 429.48 5 ↓

Analogs

36615104
36615104

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Popular Name: 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-tosyl-piperazine 1-(1,5-dimethylpyrazol-4-yl)sulf…

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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 -7.33 -19.18 0 8 0 92 398.51 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-4-nosyl-piperazine 1-(1-ethyl-3-methyl-pyrazol-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) 0.98 -7.02 -20.5 0 11 0 138 443.507 6 ↓

Parameters Provided:

ring.id = 242906
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 = 242906 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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