UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34603728
34603728
34603729
34603729
45348096
45348096
45385651
45385651
3644550
3644550

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) 0.02 10.73 -99.65 1 7 0 79 405.401 4
Hi High (pH 8-9.5) 0.02 8.08 -67.68 0 7 -1 78 404.393 4
Mid Mid (pH 6-8) 0.02 8.73 -52.94 2 7 1 76 406.409 4

Parameters Provided:

ring.id = 13644
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 = 13644 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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