UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41836947
41836947

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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) 2.56 10.62 -23.02 1 5 0 59 284.344 3
Mid Mid (pH 6-8) 2.74 9.03 -55.27 0 5 -1 66 283.336 3

Analogs

41836944
41836944

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) 2.56 10.6 -21.79 1 5 0 59 284.344 3
Mid Mid (pH 6-8) 2.74 8.76 -60.65 0 5 -1 66 283.336 3

Parameters Provided:

ring.id = 581659
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 = 581659 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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