UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(3S)-3-methyl-3-piperidyl]-[4-(1-piperidyl)-1-piperidyl]methanone [(3S)-3-methyl-3-piperidyl]-[4-(…

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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) 1.44 7.49 -83.78 3 4 2 41 295.471 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-methyl-3-piperidyl]-[4-(1-piperidyl)-1-piperidyl]methanone [(3R)-3-methyl-3-piperidyl]-[4-(…

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) 1.44 7.29 -96.67 3 4 2 41 295.471 2 ↓

Analogs

37042709
37042709
37042675
37042675
37041676
37041676
37267599
37267599

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-piperidyl]-[4-(1-piperidyl)-1-piperidyl]methanone [(3R)-3-piperidyl]-[4-(1-piperid…

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) 1.20 7.32 -91.98 3 4 2 41 281.444 2 ↓

Analogs

37042709
37042709
37042675
37042675
37041676
37041676
37267599
37267599

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-piperidyl]-[4-(1-piperidyl)-1-piperidyl]methanone [(3S)-3-piperidyl]-[4-(1-piperid…

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) 1.20 7.27 -92.81 3 4 2 41 281.444 2 ↓

Parameters Provided:

ring.id = 292433
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 = 292433 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=292433&filter.purchasability=annotated

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