UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11842868
11842868
19940111
19940111
19940112
19940112
11771620
11771620
11771627
11771627

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-cyclopropyl-N-isobutyl-6-oxo-piperidine-3-carboxamide (3R)-1-cyclopropyl-N-isobutyl-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) 1.03 -1.49 -11.18 1 4 0 49 238.331 4 ↓

Analogs

19940111
19940111
19940112
19940112
11842867
11842867
11771620
11771620

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-cyclopropyl-N-isobutyl-6-oxo-piperidine-3-carboxamide (3S)-1-cyclopropyl-N-isobutyl-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) 1.03 -1.49 -11.22 1 4 0 49 238.331 4 ↓

Parameters Provided:

ring.id = 60223
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 = 60223 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=60223&filter.purchasability=annotated

Embed Link to Results