UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] [(1S)-1-(6-bromo-1H-imidazo[4,5-…

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) 2.33 6.37 -12.69 1 6 0 81 336.145 4 ↓
Mid Mid (pH 6-8) 2.33 5.79 -40.44 0 6 -1 79 335.137 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] [(1R)-1-(6-bromo-1H-imidazo[4,5-…

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) 2.33 6.25 -11.94 1 6 0 81 336.145 4 ↓
Mid Mid (pH 6-8) 2.33 5.79 -40.46 0 6 -1 79 335.137 4 ↓

Parameters Provided:

ring.id = 498087
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 = 498087 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=498087&filter.purchasability=annotated

Embed Link to Results