UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43402306
43402306

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-5-[[4-(1-piperidyl)-1-piperidyl]methyl]-1,2,4-oxadiazole 3-tert-butyl-5-[[4-(1-piperidyl)…

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) 2.87 5.89 -42.38 1 5 1 47 307.462 4 ↓
Mid Mid (pH 6-8) 2.87 6.03 -37.31 1 5 1 47 307.462 4 ↓
Lo Low (pH 4.5-6) 2.87 8.28 -108.39 2 5 2 48 308.47 4 ↓

Parameters Provided:

ring.id = 432702
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 = 432702 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=432702&filter.purchasability=annotated

Embed Link to Results