UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-9-methyl-3-(2-morpholinoethyl)-2,4-dihydrofuro[ (7Z)-7-[(6-chloro-4H-1,3-benzodi…

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) 3.49 5.47 -10.72 0 8 0 74 498.963 4 ↓
Mid Mid (pH 6-8) 3.49 7.73 -49.87 1 8 1 75 499.971 4 ↓
Lo Low (pH 4.5-6) 3.49 8.32 -53.66 1 8 1 75 499.971 4 ↓

Parameters Provided:

ring.id = 551057
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 = 551057 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=551057&filter.purchasability=annotated

Embed Link to Results