UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12209989
12209989
42169306
42169306

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-1-(2-adamantyl)-5-(2-ethylaminoethyl)pyrrolidin-2-one (5S)-1-(2-adamantyl)-5-(2-ethyla…

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) 2.91 -0.32 -52.68 2 3 1 37 291.459 5 ↓

Analogs

42169306
42169306
12209982
12209982

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-1-(2-adamantyl)-5-(2-ethylaminoethyl)pyrrolidin-2-one (5R)-1-(2-adamantyl)-5-(2-ethyla…

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) 2.91 -1.19 -51 2 3 1 37 291.459 5 ↓

Parameters Provided:

ring.id = 88455
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 = 88455 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=88455&filter.purchasability=annotated

Embed Link to Results