UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 8-cyclopentyl-2-isopropylidene-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one 8-cyclopentyl-2-isopropylidene-4…

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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) 3.85 6.65 -6.61 0 4 0 43 313.397 1 ↓
Mid Mid (pH 6-8) 3.85 9.63 -41.14 1 4 1 44 314.405 1 ↓

Analogs

12442504
12442504
12442616
12442616
12442614
12442614

Draw Identity 99% 90% 80% 70%

Popular Name: 8-cyclopentyl-2-isopropylidene-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one 8-cyclopentyl-2-isopropylidene-7…

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) 3.48 6.02 -6.58 0 4 0 43 299.37 1 ↓
Mid Mid (pH 6-8) 3.48 9 -41.42 1 4 1 44 300.378 1 ↓

Parameters Provided:

ring.id = 559570
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 = 559570 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=559570&filter.purchasability=annotated

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