UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-tetrazole-5-thione 1-[[4-(2,5-dimethylphenyl)sulfon…

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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) 2.29 8.22 -14.3 0 8 0 76 444.586 5 ↓

Analogs

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Popular Name: 1-(m-tolyl)-4-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]tetrazole-5-thione 1-(m-tolyl)-4-[[4-(p-tolylsulfon…

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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) 2.55 7.77 -13.35 0 8 0 76 444.586 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-phenyl-4-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]tetrazole-5-thione 1-phenyl-4-[[4-(p-tolylsulfonyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.91 7.1 -13.84 0 8 0 76 430.559 5 ↓

Parameters Provided:

ring.id = 234741
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 = 234741 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=234741&filter.purchasability=annotated

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