UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11814538
11814538
11872074
11872074
11872075
11872075

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Popular Name: 2-methyl-N-[[(2S)-8-[(2,4,5-trimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]thiazole- 2-methyl-N-[[(2S)-8-[(2,4,5-trim…

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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) 3.48 -1.72 -40.53 2 5 1 56 428.622 5 ↓

Analogs

11872074
11872074
11872075
11872075
11814537
11814537

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Popular Name: 2-methyl-N-[[(2R)-8-[(2,4,5-trimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]thiazole- 2-methyl-N-[[(2R)-8-[(2,4,5-trim…

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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) 3.48 -1.72 -39.17 2 5 1 56 428.622 5 ↓

Analogs

11814741
11814741

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Popular Name: N-[[(3S)-8-[(2,3-dimethoxyphenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2-methyl-thiazole-4 N-[[(3S)-8-[(2,3-dimethoxyphenyl…

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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) 2.10 -2.09 -39.57 2 7 1 74 446.593 7 ↓

Analogs

11814739
11814739

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Popular Name: N-[[(3R)-8-[(2,3-dimethoxyphenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2-methyl-thiazole-4 N-[[(3R)-8-[(2,3-dimethoxyphenyl…

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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) 2.10 -2.23 -38.93 2 7 1 74 446.593 7 ↓

Analogs

11997287
11997287

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Popular Name: N-[[(3S)-8-[(2-fluorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2-methyl-thiazole-4-carb N-[[(3S)-8-[(2-fluorophenyl)meth…

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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) 2.39 -2.14 -39.02 2 5 1 56 404.531 5 ↓

Analogs

11997285
11997285

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Popular Name: N-[[(3R)-8-[(2-fluorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2-methyl-thiazole-4-carb N-[[(3R)-8-[(2-fluorophenyl)meth…

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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) 2.39 -2.07 -37.56 2 5 1 56 404.531 5 ↓

Analogs

12042211
12042211

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Popular Name: N-[[(2S)-8-[(2-ethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-thiazole-4-carb N-[[(2S)-8-[(2-ethoxyphenyl)meth…

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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) 2.66 -2.48 -37.91 2 6 1 65 430.594 7 ↓

Analogs

12042208
12042208

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Popular Name: N-[[(2R)-8-[(2-ethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-thiazole-4-carb N-[[(2R)-8-[(2-ethoxyphenyl)meth…

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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) 2.66 -2.64 -35.65 2 6 1 65 430.594 7 ↓

Parameters Provided:

ring.id = 47449
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 = 47449 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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