UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(2-thienyl)ethanone 2-(8-azaspiro[4.5]decan-8-yl)-1-…

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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) 3.27 9.61 -37.66 1 2 1 22 264.414 3 ↓
Mid Mid (pH 6-8) 3.27 7.42 -6.32 0 2 0 20 263.406 3 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(5-bromo-2-thienyl)ethanone 2-(8-azaspiro[4.5]decan-8-yl)-1-…

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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) 4.21 10.34 -39.04 1 2 1 22 343.31 3 ↓
Mid Mid (pH 6-8) 4.21 8.15 -4.52 0 2 0 20 342.302 3 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(5-methyl-2-thienyl)ethanone 2-(8-azaspiro[4.5]decan-8-yl)-1-…

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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) 3.50 10.42 -37.18 1 2 1 22 278.441 3 ↓
Mid Mid (pH 6-8) 3.50 8.23 -6.24 0 2 0 20 277.433 3 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(5-chloro-2-thienyl)ethanone 2-(8-azaspiro[4.5]decan-8-yl)-1-…

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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) 4.08 10.23 -38.96 1 2 1 22 298.859 3 ↓
Mid Mid (pH 6-8) 4.08 8.04 -4.55 0 2 0 20 297.851 3 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-1-(3-bromo-2-thienyl)ethanone 2-(8-azaspiro[4.5]decan-8-yl)-1-…

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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) 4.01 10.23 -40.74 1 2 1 22 343.31 3 ↓
Mid Mid (pH 6-8) 4.01 8.04 -7.56 0 2 0 20 342.302 3 ↓

Parameters Provided:

ring.id = 318573
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 = 318573 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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