UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2799103
2799103

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(ethoxymethylidene)-3-phenethyl-2-thioxo-1,3-thiazolan-4-one 5-(ethoxymethylidene)-3-phenethy…

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) 2.45 -0.1 -11.93 0 3 0 31 293.413 5 ↓

Analogs

2799102
2799102

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(ethoxymethylidene)-3-phenethyl-2-thioxo-1,3-thiazolan-4-one 5-(ethoxymethylidene)-3-phenethy…

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) 2.45 -0.44 -9 0 3 0 31 293.413 5 ↓

Parameters Provided:

ring.id = 241047
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 = 241047 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=241047&filter.purchasability=annotated

Embed Link to Results