UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19866232
19866232
19972698
19972698
20428336
20428336
20428476
20428476
20428482
20428482

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) 5.01 11.79 -11.55 0 6 0 45 487.575 4
Lo Low (pH 4.5-6) 5.01 14.05 -47.96 1 6 1 46 488.583 4

Analogs

19809020
19809020
19809027
19809027
19866232
19866232
20123783
20123783
20428336
20428336

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) 4.96 11.89 -13.22 0 6 0 45 487.575 4
Lo Low (pH 4.5-6) 4.96 14.13 -39.4 1 6 1 46 488.583 4

Parameters Provided:

ring.id = 256772
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 = 256772 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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