UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41201111
41201111
41201283
41201283
41201286
41201286
41201289
41201289
41201292
41201292

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) 2.99 7.77 -33.04 2 2 1 29 249.403 4
Hi High (pH 8-9.5) 2.99 6.64 -4.56 1 2 0 25 248.395 4
Lo Low (pH 4.5-6) 2.99 7.68 -88.47 3 2 2 31 250.411 4

Analogs

41201283
41201283
41201286
41201286
41201289
41201289
41201292
41201292
41197884
41197884

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) 2.99 7.77 -33.25 2 2 1 29 249.403 4
Hi High (pH 8-9.5) 2.99 6.65 -4.34 1 2 0 25 248.395 4
Lo Low (pH 4.5-6) 2.99 7.73 -87.06 3 2 2 31 250.411 4

Parameters Provided:

ring.id = 521776
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 = 521776 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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