UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

48618140
48618140
34857772
34857772
34857710
34857710
13061251
13061251

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Popular Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-furylmethyl)acetamide 2-[4-(benzenesulfonyl)piperazin-…

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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 2.49 -15.02 1 7 0 83 363.439 6 ↓

Analogs

1056805
1056805
12899886
12899886

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Popular Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-furylmethyl)acetamide 2-[4-(4-chlorophenyl)sulfonylpip…

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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) 2.08 3.07 -13.06 1 7 0 83 397.884 6 ↓

Analogs

38270906
38270906
38270907
38270907
48618140
48618140
13061251
13061251
34857772
34857772

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Popular Name: N-(2-furylmethyl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide N-(2-furylmethyl)-2-[4-(p-tolyls…

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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) 1.85 3.17 -14.77 1 7 0 83 377.466 6 ↓

Parameters Provided:

ring.id = 135548
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 = 135548 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=135548&filter.purchasability=annotated

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