UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b]thiazol-5-yl]methyl]furan-2-carboxamide N-[[6-(4-fluorophenyl)-2,3-dihyd…

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) 2.70 7.77 -13.42 1 5 0 60 343.383 4 ↓
Lo Low (pH 4.5-6) 2.70 7.77 -35.19 2 5 1 61 344.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-b]thiazol-5-yl]methyl]furan-2-carboxamide N-[[6-(4-chlorophenyl)-2,3-dihyd…

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) 3.21 8.22 -13.12 1 5 0 60 359.838 4 ↓
Lo Low (pH 4.5-6) 3.21 8.22 -34.58 2 5 1 61 360.846 4 ↓

Parameters Provided:

ring.id = 373642
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 = 373642 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=373642&filter.purchasability=annotated

Embed Link to Results