UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

47151985
47151985
60855733
60855733
60855790
60855790
36105636
36105636
20053601
20053601

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) -0.70 4.35 -53.53 2 6 1 73 295.407 9
Hi High (pH 8-9.5) -0.70 2.99 -13.47 1 6 0 69 294.399 9
Mid Mid (pH 6-8) -0.70 6.62 -110.63 3 6 2 74 296.415 9

Parameters Provided:

ring.id = 579789
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 = 579789 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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