UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40113276
40113276
40113487
40113487
40113703
40113703
40113918
40113918
40114139
40114139

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)methylene]thiazolo[3,2-a]benzimidazol-1-one (2Z)-2-[(3-methyl-4-pyrrolidin-1…

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) 4.59 10.75 -11.86 0 4 0 38 361.47 2 ↓

Analogs

13115746
13115746

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)methylene]thiazolo[3,2-a]benzimidazol-1-one (2E)-2-[(2,5-dimethoxy-4-pyrroli…

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) 4.18 10.27 -13 0 6 0 56 407.495 4 ↓

Parameters Provided:

ring.id = 229573
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 = 229573 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=229573&filter.purchasability=annotated

Embed Link to Results