UCSF
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Popular Name: N-[[(3R)-1-(2-methoxyethyl)-3-piperidyl]methyl]-9-azaspiro[5.5]undecan-3-amine N-[[(3R)-1-(2-methoxyethyl)-3-pi…

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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) 1.72 5.46 -95.8 4 4 2 46 325.541 6 ↓
Mid Mid (pH 6-8) 1.72 7.73 -163.74 5 4 3 47 326.549 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-(2-methoxyethyl)-3-piperidyl]methyl]-9-azaspiro[5.5]undecan-3-amine N-[[(3S)-1-(2-methoxyethyl)-3-pi…

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) 1.72 5.41 -94.98 4 4 2 46 325.541 6 ↓
Mid Mid (pH 6-8) 1.72 7.71 -163.98 5 4 3 47 326.549 6 ↓

Parameters Provided:

ring.id = 594556
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 = 594556 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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