UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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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) 2.21 5.29 -46.2 2 3 1 29 281.445 6
Hi High (pH 8-9.5) 2.21 3.95 -3.62 1 3 0 24 280.437 6
Lo Low (pH 4.5-6) 2.21 7.52 -124.24 3 3 2 30 282.453 6

Analogs

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) 2.21 5.44 -46.14 2 3 1 29 281.445 6
Hi High (pH 8-9.5) 2.21 4.08 -3.43 1 3 0 24 280.437 6
Lo Low (pH 4.5-6) 2.21 7.53 -125.86 3 3 2 30 282.453 6

Parameters Provided:

ring.id = 58687
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 = 58687 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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