UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)phenyl]-2-(4-methyl-6-oxo-pyrimidin-1-yl)acetamide N-[4-(2,3-dihydroimidazo[2,1-b]t…

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) 1.28 9.09 -31.39 1 7 0 82 367.434 4 ↓
Lo Low (pH 4.5-6) 1.28 9.53 -45.3 2 7 1 83 368.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide N-[4-(2,3-dihydroimidazo[2,1-b]t…

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) 0.84 8.47 -30.5 1 7 0 82 353.407 4 ↓
Lo Low (pH 4.5-6) 0.84 8.91 -45.07 2 7 1 83 354.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)phenyl]-2-(4-isopropyl-6-oxo-pyrimidin-1-yl)acetamide N-[4-(2,3-dihydroimidazo[2,1-b]t…

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) 2.34 10.5 -30.97 1 7 0 82 395.488 5 ↓
Lo Low (pH 4.5-6) 2.34 10.94 -44.89 2 7 1 83 396.496 5 ↓

Parameters Provided:

ring.id = 599734
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 = 599734 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=599734&filter.purchasability=annotated

Embed Link to Results