UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[2-(1,4-diazepan-1-yl)ethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine 7-[2-(1,4-diazepan-1-yl)ethyl]-6…

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) -0.64 3.04 -75.4 3 5 2 42 251.378 3 ↓
Hi High (pH 8-9.5) -0.64 1.82 -28.31 2 5 1 38 250.37 3 ↓
Hi High (pH 8-9.5) -0.64 2.58 -43.13 2 5 1 41 250.37 3 ↓

Parameters Provided:

ring.id = 98938
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 = 98938 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=98938&filter.purchasability=annotated

Embed Link to Results