UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14019117
14019117
14931990
14931990
14931992
14931992
48755308
48755308
48755310
48755310

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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) 2.99 5.79 -15.14 2 7 0 88 375.469 10

Analogs

37810998
37810998
37810999
37810999
37811017
37811017

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) 1.23 7.15 -38.22 2 5 1 54 276.36 6
Hi High (pH 8-9.5) 1.23 4.93 -14.27 1 5 0 53 275.352 6

Parameters Provided:

ring.id = 249783
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 = 249783 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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