UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40475802
40475802
40475774
40475774
40475776
40475776
36379570
36379570

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) 0.07 6.28 -44.88 1 5 0 75 223.228 3
Mid Mid (pH 6-8) 0.07 3.69 -50.69 0 5 -1 74 222.22 3

Parameters Provided:

ring.id = 566653
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 = 566653 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

Embed Link to Results