UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

52273849
52273849
52273852
52273852
52273853
52273853
52273855
52273855

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) 2.19 7.8 -47.85 2 3 1 34 216.308 4
Hi High (pH 8-9.5) 2.19 6.44 -8.54 1 3 0 29 215.3 4
Lo Low (pH 4.5-6) 2.19 8.25 -96.53 3 3 2 35 217.316 4

Parameters Provided:

ring.id = 545090
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 = 545090 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

Embed Link to Results