UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (8R)-N-(3-methyl-5-nitro-2-pyridyl)-5-azaspiro[3.5]nonan-8-amine (8R)-N-(3-methyl-5-nitro-2-pyrid…

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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) 2.31 7 -45.73 3 6 1 87 277.348 3 ↓

Analogs

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Popular Name: (8S)-N-(3-methyl-5-nitro-2-pyridyl)-5-azaspiro[3.5]nonan-8-amine (8S)-N-(3-methyl-5-nitro-2-pyrid…

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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) 2.31 7 -45.67 3 6 1 87 277.348 3 ↓

Analogs

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Popular Name: (8R)-N-(3-fluoro-2-pyridyl)-5-azaspiro[3.5]nonan-8-amine (8R)-N-(3-fluoro-2-pyridyl)-5-az…

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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) 1.92 5.55 -38.09 3 3 1 42 236.314 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-N-(3-fluoro-2-pyridyl)-5-azaspiro[3.5]nonan-8-amine (8S)-N-(3-fluoro-2-pyridyl)-5-az…

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) 1.92 5.63 -37.65 3 3 1 42 236.314 2 ↓

Parameters Provided:

ring.id = 22578
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 = 22578 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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