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ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: [(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]methylBLAHone [(4aS,8aS)-4a-hydroxy-1,3,4,5,6,…

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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) 3.56 7.25 -10.37 1 4 0 45 352.478 2 ↓
Lo Low (pH 4.5-6) 3.56 9.06 -46.4 2 4 1 47 353.486 2 ↓

Parameters Provided:

ring.id = 564787
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 = 564787 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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