UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38799632
38799632
38799633
38799633

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Popular Name: (4S,4aS,5S,5aS,6R,12aR)-4-(dimethylamino)-3,5,6,10,11,12a-hexahydroxy-6-methyl-1,12-dioxo-4,4a,5,5a- (4S,4aS,5S,5aS,6R,12aR)-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) -2.19 -0.37 -102.39 6 11 -1 206 459.431 2 ↓
Hi High (pH 8-9.5) -2.19 0.65 -174.84 5 11 -2 208 458.423 2 ↓
Hi High (pH 8-9.5) -2.19 -1.53 -219.42 4 11 -3 207 457.415 2 ↓

Parameters Provided:

ring.id = 502997
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 = 502997 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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