UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]triazole-4-carboxylic 1-[2-(8-azaspiro[4.5]decan-8-yl)…

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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) 1.58 7.65 -72.79 1 6 0 75 278.356 4 ↓

Analogs

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Popular Name: 1-[1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]triazol-4-yl]-N-methyl-methanamine 1-[1-[2-(8-azaspiro[4.5]decan-8-…

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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 7.08 -98.51 3 5 2 52 279.432 5 ↓
Hi High (pH 8-9.5) 1.57 5.63 -45.72 2 5 1 47 278.424 5 ↓

Analogs

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Popular Name: N-[[1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]triazol-4-yl]methyl]ethanamine N-[[1-[2-(8-azaspiro[4.5]decan-8…

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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) 1.94 7.94 -98.3 3 5 2 52 293.459 6 ↓
Hi High (pH 8-9.5) 1.94 6.56 -45.55 2 5 1 47 292.451 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]triazol-4-yl]methanamine [1-[2-(8-azaspiro[4.5]decan-8-yl…

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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) 1.19 5.21 -103.15 4 5 2 63 265.405 4 ↓
Hi High (pH 8-9.5) 1.19 4.8 -47.96 3 5 1 61 264.397 4 ↓

Parameters Provided:

ring.id = 318458
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 = 318458 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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