UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

26557254
26557254
26560262
26560262

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Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide N-(5-butyl-1,3,4-thiadiazol-2-yl…

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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) 2.02 4.36 -61.92 1 8 -1 113 358.403 6 ↓
Hi High (pH 8-9.5) 2.21 3.29 -119.31 0 8 -2 119 357.395 6 ↓

Analogs

57838823
57838823

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Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(5-butyl-1,3,4-thiadiazol-2-yl…

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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) 2.34 7.22 -26.84 1 7 0 90 357.439 6 ↓

Parameters Provided:

ring.id = 138545
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 = 138545 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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