UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42920577
42920577
42966601
42966601
43009912
43009912
43011335
43011335
43073482
43073482

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Popular Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(4-pyridyl)-1,3,4-oxadiazol-2-one 3-(3,4-dihydro-1H-isoquinolin-2-…

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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) 1.44 7.1 -43.02 1 6 1 65 309.349 3 ↓
Mid Mid (pH 6-8) 1.44 4.55 -9.76 0 6 0 64 308.341 3 ↓

Parameters Provided:

ring.id = 13765
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 = 13765 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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