UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44679596
44679596
44679598
44679598
44679599
44679599
44679601
44679601

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Popular Name: (2S)-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]piperidine (2S)-2-[[(3S)-3-pyrrolidin-1-ylp…

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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) 1.57 6.17 -85.08 3 3 2 24 239.407 3 ↓
Hi High (pH 8-9.5) 1.57 3.77 -31.08 2 3 1 23 238.399 3 ↓

Analogs

44679596
44679596
44679598
44679598
44679599
44679599
44679601
44679601

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]piperidine (2R)-2-[[(3S)-3-pyrrolidin-1-ylp…

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) 1.57 5.82 -83.09 3 3 2 24 239.407 3 ↓
Hi High (pH 8-9.5) 1.57 3.46 -36.02 2 3 1 23 238.399 3 ↓

Parameters Provided:

ring.id = 326047
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 = 326047 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=326047&filter.purchasability=annotated

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