UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

46811153
46811153
54705171
54705171
57536040
57536040
57547582
57547582
58162241
58162241

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) -0.38 -1.27 -59.51 5 7 1 106 281.336 1
Hi High (pH 8-9.5) -0.19 -4.14 -42.83 3 7 -1 111 279.32 1
Mid Mid (pH 6-8) -0.38 -1.5 -12.46 4 7 0 105 280.328 1

Parameters Provided:

ring.id = 578057
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 = 578057 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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