UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-1-(4-methylphenyl)-1H-pyrido[2,3-e][1,3,4]thiadiazine 4,4-dioxide 3-(1,4-dioxa-8-azaspiro[4.5]dec-…

Find On: PubMed — Wikipedia — Google

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) 1.94 5.69 -17.96 0 9 0 101 442.497 2 ↓
Lo Low (pH 4.5-6) 1.94 6.01 -47.68 1 9 1 103 443.505 2 ↓

Parameters Provided:

ring.id = 507978
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 = 507978 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=507978&filter.purchasability=annotated

Embed Link to Results