UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6446350
6446350
19879002
19879002
39758741
39758741
39759819
39759819

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Popular Name: 2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-chlorophenyl)ethanone 2-[(5-benzyl-4-phenyl-4H-1,2,4-t…

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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) 5.54 2.34 -10.82 1 0 0 47 419.937 4 ↓

Analogs

21825172
21825172

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Popular Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methoxyphenyl)ethanone 2-[(5-benzyl-4-phenyl-1,2,4-tria…

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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) 4.87 15.82 -14.62 0 5 0 57 415.518 8 ↓

Parameters Provided:

ring.id = 232695
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 = 232695 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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