UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43286590
43286590
54235034
54235034
32873858
32873858
19339188
19339188

Draw Identity 99% 90% 80% 70%

Activity (Go SEA)

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) 0.60 2.84 -52.43 3 5 1 64 289.403 3
Hi High (pH 8-9.5) 0.60 2.65 -9.37 2 5 0 62 288.395 3
Mid Mid (pH 6-8) 0.60 5.06 -121.07 4 5 2 65 290.411 3

Parameters Provided:

ring.id = 578096
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 = 578096 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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