UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-quinoxalin-6-yl-4H-1,2,4-oxadiazol-5-one 3-quinoxalin-6-yl-4H-1,2,4-oxadi…

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) 1.48 -0.52 -45.73 0 6 -1 88 213.176 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-3-quinoxalin-6-yl-1,2,4-oxadiazole 5-chloro-3-quinoxalin-6-yl-1,2,4…

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) 2.38 1.88 -8.13 0 5 0 65 232.63 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-quinoxalin-6-yl-1,2,4-oxadiazol-5-amine 3-quinoxalin-6-yl-1,2,4-oxadiazo…

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) 1.19 -0.5 -12.32 2 6 0 91 213.2 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)hydrazine (3-quinoxalin-6-yl-1,2,4-oxadiaz…

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) 0.95 -0.51 -12.67 3 7 0 103 228.215 2 ↓
Mid Mid (pH 6-8) 0.95 -0.69 -57.39 4 7 1 104 229.223 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-quinoxalin-6-yl-1,2,4-oxadiazole-5-thiol 3-quinoxalin-6-yl-1,2,4-oxadiazo…

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) 2.10 1.91 -41.25 0 5 -1 65 229.244 1 ↓

Parameters Provided:

ring.id = 509714
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 = 509714 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=509714&filter.purchasability=annotated

Embed Link to Results