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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

60239335
60239335

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Popular Name: (4S,4aS,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4a,5,5a,6-t (4S,4aS,5S,5aR,6S,12aS)-4-(dimet…

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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) -0.87 0.53 -59.64 6 10 -1 184 443.432 2 ↓
Mid Mid (pH 6-8) -0.87 1.5 -57.5 7 10 0 186 444.44 2 ↓
Mid Mid (pH 6-8) -0.43 1.64 -123.72 5 10 -2 187 442.424 2 ↓

Parameters Provided:

ring.id = 597217
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 = 597217 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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