UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14607358
14607358
14607359
14607359

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,4aR,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-phenethyl-acetamide 2-[(2R,4aR,8aS)-3-oxo-2,4,4a,5,6…

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) 2.84 4.94 -37.46 4 5 1 75 316.425 5 ↓
Hi High (pH 8-9.5) 2.84 3.9 -8.8 3 5 0 70 315.417 5 ↓

Analogs

14607358
14607358
14607359
14607359

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,4aR,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-phenethyl-acetamide 2-[(2S,4aR,8aS)-3-oxo-2,4,4a,5,6…

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) 2.84 4.61 -41.63 4 5 1 75 316.425 5 ↓
Hi High (pH 8-9.5) 2.84 3.49 -11.1 3 5 0 70 315.417 5 ↓

Parameters Provided:

ring.id = 147280
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 = 147280 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=147280&filter.purchasability=annotated

Embed Link to Results