UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37841744
37841744
37791611
37791611
37791612
37791612

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Popular Name: 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one 1-[4-(3H-benzimidazole-5-carbony…

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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) 1.02 6.5 -21.24 1 6 0 69 300.362 3 ↓
Lo Low (pH 4.5-6) 1.02 6.99 -52.53 2 6 1 71 301.37 3 ↓

Analogs

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Popular Name: 3H-benzimidazol-5-yl-(4-ethylsulfonylpiperazin-1-yl)methanone 3H-benzimidazol-5-yl-(4-ethylsul…

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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) 0.02 3.43 -23.66 1 7 0 86 322.39 3 ↓
Lo Low (pH 4.5-6) 0.02 3.92 -52.11 2 7 1 88 323.398 3 ↓

Parameters Provided:

ring.id = 528918
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 = 528918 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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