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) 1.68 7.13 -47.72 1 7 1 55 390.552 5
Mid Mid (pH 6-8) 1.68 9.42 -83.37 2 7 2 56 391.56 5
Mid Mid (pH 6-8) 1.68 7.17 -35.05 1 7 1 55 390.552 5

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) 1.68 7.11 -47.88 1 7 1 55 390.552 5
Mid Mid (pH 6-8) 1.68 7.21 -35.21 1 7 1 55 390.552 5
Mid Mid (pH 6-8) 1.68 4.94 -9.5 0 7 0 54 389.544 5

Parameters Provided:

ring.id = 404245
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 = 404245 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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