UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34932860
34932860
34970989
34970989
34970990
34970990
34932858
34932858
34934629
34934629

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-piperidyl]-[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methanone [(2S)-2-piperidyl]-[(1S,5R)-3,3,…

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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) 2.64 7.67 -35.48 2 3 1 37 265.421 1 ↓
Hi High (pH 8-9.5) 2.64 6.41 -7.39 1 3 0 32 264.413 1 ↓

Analogs

34932860
34932860
34970989
34970989
34970990
34970990
34932858
34932858
34934629
34934629

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-piperidyl]-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methanone [(2S)-2-piperidyl]-[(1R,5S)-3,3,…

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) 2.64 7.52 -35.78 2 3 1 37 265.421 1 ↓
Hi High (pH 8-9.5) 2.64 6.28 -7.52 1 3 0 32 264.413 1 ↓

Parameters Provided:

ring.id = 578675
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 = 578675 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=578675&filter.purchasability=annotated

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