UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-cyclohexyl-4-methyl-2-(4-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclohexyl-4-methyl-2-(4-…

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) 3.84 7.95 -7.98 0 5 0 56 376.456 2 ↓
Mid Mid (pH 6-8) 3.84 10.73 -46.06 1 5 1 57 377.464 2 ↓
Lo Low (pH 4.5-6) 3.84 11.2 -100.3 2 5 2 58 378.472 2 ↓

Analogs

13692898
13692898
13735017
13735017
20649708
20649708

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-8-cyclohexyl-2-(4-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2E)-8-cyclohexyl-2-(4-pyridylme…

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) 3.46 7.15 -8.44 0 5 0 56 362.429 2 ↓
Lo Low (pH 4.5-6) 3.46 9.92 -46.01 1 5 1 57 363.437 2 ↓
Lo Low (pH 4.5-6) 3.46 10.4 -82.66 2 5 2 58 364.445 2 ↓

Parameters Provided:

ring.id = 561027
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 = 561027 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=561027&filter.purchasability=annotated

Embed Link to Results