UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-allyl-1-[(5-methyl-2-phenyl-oxazol-4-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one 4-allyl-1-[(5-methyl-2-phenyl-ox…

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) 4.71 1.23 -14.49 0 7 0 78 429.505 6 ↓

Analogs

25100291
25100291
25530232
25530232

Draw Identity 99% 90% 80% 70%

Popular Name: 4-butyl-1-[[2-(2,4-dimethylphenyl)oxazol-4-yl]methylsulfanyl]-[1,2,4]triazolo[4,5-a]quinazolin-5-one 4-butyl-1-[[2-(2,4-dimethylpheny…

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) 6.11 14.39 -14.74 0 7 0 78 459.575 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[2-(2,4-dimethylphenyl)oxazol-4-yl]methylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-on 1-[[2-(2,4-dimethylphenyl)oxazol…

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) 4.67 11.96 -15.13 0 7 0 78 417.494 4 ↓

Analogs

25100291
25100291
25100522
25100522
25530232
25530232
39575272
39575272

Draw Identity 99% 90% 80% 70%

Popular Name: 4-butyl-1-[[2-(p-tolyl)oxazol-4-yl]methylsulfanyl]-[1,2,4]triazolo[4,5-a]quinazolin-5-one 4-butyl-1-[[2-(p-tolyl)oxazol-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) 5.73 13.96 -14.38 0 7 0 78 445.548 7 ↓

Parameters Provided:

ring.id = 96683
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 = 96683 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=96683&filter.purchasability=annotated

Embed Link to Results