UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1281794
1281794
1281795
1281795

Draw Identity 99% 90% 80% 70%

Popular Name: 4-keto-3-(2-keto-2-phenethyloxy-ethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic-acid-isopropyl- 4-keto-3-(2-keto-2-phenethyloxy-…

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) 3.67 3.04 -19.76 0 7 0 87 414.483 9 ↓

Analogs

1281789
1281789
1281790
1281790
1281795
1281795

Draw Identity 99% 90% 80% 70%

Popular Name: 4-keto-3-(2-keto-2-phenethyloxy-ethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic-acid-ethyl-este 4-keto-3-(2-keto-2-phenethyloxy-…

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) 3.30 2.78 -19.59 0 7 0 87 400.456 9 ↓

Analogs

1281795
1281795

Draw Identity 99% 90% 80% 70%

Popular Name: 4-keto-3-(2-keto-2-phenethyloxy-ethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic-acid-methyl-est 4-keto-3-(2-keto-2-phenethyloxy-…

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) 2.93 2.81 -19.8 0 7 0 87 386.429 8 ↓

Parameters Provided:

ring.id = 28164
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 = 28164 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=28164&filter.purchasability=annotated

Embed Link to Results