UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N'-[4-[butyl(methyl)amino]benzoyl]-1H-triazole-4-carbohydrazide N'-[4-[butyl(methyl)amino]benzoy…

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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) 1.55 3.27 -9.93 3 8 0 103 316.365 7 ↓
Mid Mid (pH 6-8) 1.55 3.25 -39.44 2 8 -1 101 315.357 7 ↓

Analogs

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Popular Name: N'-(2-bromo-4-fluoro-benzoyl)-1H-triazole-4-carbohydrazide N'-(2-bromo-4-fluoro-benzoyl)-1H…

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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) 0.91 1.05 -9.43 3 7 0 100 328.101 3 ↓
Mid Mid (pH 6-8) 0.91 1.03 -36.65 2 7 -1 98 327.093 3 ↓

Parameters Provided:

ring.id = 382254
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 = 382254 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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