UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19481919
19481919
19481921
19481921

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Popular Name: (1-aminocyclopentyl)-[(3S)-3-pyrrolidin-1-yl-1-piperidyl]methanone (1-aminocyclopentyl)-[(3S)-3-pyr…

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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) 1.37 5.52 -96.24 4 4 2 52 267.417 2 ↓
Mid Mid (pH 6-8) 1.37 5.29 -35.97 3 4 1 51 266.409 2 ↓

Analogs

19481919
19481919
19481921
19481921

Draw Identity 99% 90% 80% 70%

Popular Name: (1-aminocyclopentyl)-[(3R)-3-pyrrolidin-1-yl-1-piperidyl]methanone (1-aminocyclopentyl)-[(3R)-3-pyr…

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) 1.37 5.46 -95.61 4 4 2 52 267.417 2 ↓
Mid Mid (pH 6-8) 1.37 5.24 -36.99 3 4 1 51 266.409 2 ↓

Parameters Provided:

ring.id = 579731
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 = 579731 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=579731&filter.purchasability=annotated

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