UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[3-[2-[[4-(difluoromethoxy)phenyl]methylamino]-2-oxo-ethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl]pr 3-[3-[2-[[4-(difluoromethoxy)phe…

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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) 1.57 2.42 -110.07 1 9 -2 140 412.374 10 ↓
Lo Low (pH 4.5-6) 1.12 3.91 -55.88 2 9 -1 137 413.382 10 ↓

Analogs

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Popular Name: 3-[3-[2-[(3-fluoro-4-methyl-phenyl)methylamino]-2-oxo-ethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl]pro 3-[3-[2-[(3-fluoro-4-methyl-phen…

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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) 1.50 3.54 -107.93 1 8 -2 131 378.385 8 ↓
Lo Low (pH 4.5-6) 1.04 5.03 -53.93 2 8 -1 128 379.393 8 ↓

Parameters Provided:

ring.id = 132509
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 = 132509 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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