UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-thiazole-5-carbaldehyde 2-(8-azaspiro[4.5]decan-8-yl)-4-…

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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) 3.60 9.67 -8.17 0 3 0 33 290.432 3 ↓

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-thiazole-5-carboxylic 2-(8-azaspiro[4.5]decan-8-yl)-4-…

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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) 3.38 10.46 -52.62 0 4 -1 56 305.423 3 ↓
Mid Mid (pH 6-8) 3.38 10.79 -39.1 1 4 0 58 306.431 3 ↓

Analogs

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Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-thiazol-5-yl]methanamine [2-(8-azaspiro[4.5]decan-8-yl)-4…

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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) 2.99 7.95 -46.25 3 3 1 44 292.472 3 ↓
Mid Mid (pH 6-8) 2.99 7.55 -4.82 2 3 0 42 291.464 3 ↓

Analogs

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Popular Name: 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-thiazol-5-yl]-N-methyl-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) 3.37 9.81 -40.27 2 3 1 33 306.499 4 ↓
Hi High (pH 8-9.5) 3.37 8.37 -4.31 1 3 0 28 305.491 4 ↓

Analogs

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Popular Name: [2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-thiazol-5-yl]methanol [2-(8-azaspiro[4.5]decan-8-yl)-4…

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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) 3.14 7.23 -7.04 1 3 0 36 292.448 3 ↓
Mid Mid (pH 6-8) 3.14 7.57 -23.65 2 3 1 38 293.456 3 ↓

Parameters Provided:

ring.id = 305164
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 = 305164 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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