UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-[2-(azocan-1-yl)acetyl]-5-methyl-2,5,9-triazaspiro[5.5]undecan-1-one 9-[2-(azocan-1-yl)acetyl]-5-meth…

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) 1.07 4.32 -37.53 2 6 1 57 337.488 2 ↓
Hi High (pH 8-9.5) 1.07 3.07 -10.15 1 6 0 56 336.48 2 ↓
Mid Mid (pH 6-8) 1.07 6.5 -94.29 3 6 2 58 338.496 2 ↓

Parameters Provided:

ring.id = 521224
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 = 521224 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=521224&filter.purchasability=annotated

Embed Link to Results