UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37299741
37299741
37249921
37249921
37299662
37299662
37299660
37299660
37249515
37249515

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopentylamino)-1-[4-(1-piperidyl)-1-piperidyl]ethanone 2-(cyclopentylamino)-1-[4-(1-pip…

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) 2.18 8.71 -93.03 3 4 2 41 295.471 4 ↓
Hi High (pH 8-9.5) 2.18 7.51 -41.37 2 4 1 37 294.463 4 ↓

Parameters Provided:

ring.id = 580228
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 = 580228 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=580228&filter.purchasability=annotated

Embed Link to Results