UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37782505
37782505
37782506
37782506
44686240
44686240
44686242
44686242
45692550
45692550

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,6-dimethylimidazo[2,1-b]thiazol-5-yl)methyl]-2-pyrrolidin-1-yl-ethanamine N-[(3,6-dimethylimidazo[2,1-b]th…

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) 1.71 6.95 -43.7 2 4 1 34 279.433 5 ↓

Analogs

37782507
37782507
37782508
37782508
45692555
45692555
45692558
45692558

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6-methylimidazo[2,1-b]thiazol-5-yl)methyl]-2-pyrrolidin-1-yl-ethanamine N-[(6-methylimidazo[2,1-b]thiazo…

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) 1.49 6.62 -43.31 2 4 1 34 265.406 5 ↓

Analogs

37782543
37782543
37782544
37782544
44686516
44686516
44686518
44686518
45664027
45664027

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6-methoxyimidazo[2,1-b]thiazol-5-yl)methyl]-2-pyrrolidin-1-yl-ethanamine N-[(6-methoxyimidazo[2,1-b]thiaz…

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) 1.45 4.22 -41.82 2 5 1 43 281.405 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-methyl-N-[(6-methylimidazo[2,1-b]thiazol-5-yl)methyl]-2-pyrrolidin-1-yl-butan-1-amine (2R)-3-methyl-N-[(6-methylimidaz…

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) 2.60 9.25 -39.49 2 4 1 34 307.487 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-methyl-N-[(6-methylimidazo[2,1-b]thiazol-5-yl)methyl]-2-pyrrolidin-1-yl-butan-1-amine (2S)-3-methyl-N-[(6-methylimidaz…

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) 2.60 9.6 -38.29 2 4 1 34 307.487 6 ↓

Parameters Provided:

ring.id = 549884
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 = 549884 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=549884&filter.purchasability=annotated

Embed Link to Results