UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14246991
14246991

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Popular Name: 2-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide 2-(1,3-dioxo-2,4-diazaspiro[4.4]…

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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) 0.65 1.66 -21.65 3 9 0 130 408.48 5 ↓

Analogs

14246990
14246990

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Popular Name: 2-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)-N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide 2-(1,3-dioxo-2,4-diazaspiro[4.4]…

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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) 0.65 1.92 -22.69 3 9 0 130 408.48 5 ↓

Analogs

14261381
14261381

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Popular Name: N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)acetamide N-[(1R)-1-(2,5-dimethoxyphenyl)e…

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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) 2.25 3.97 -16.12 2 8 0 97 375.425 6 ↓

Analogs

14261380
14261380

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Popular Name: N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)acetamide N-[(1S)-1-(2,5-dimethoxyphenyl)e…

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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) 2.25 3.99 -16.15 2 8 0 97 375.425 6 ↓

Analogs

22315993
22315993
22315998
22315998
22316001
22316001
22316005
22316005
25004543
25004543

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Popular Name: 2-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide 2-(1,3-dioxo-2,4-diazaspiro[4.4]…

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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) 2.22 4.7 -16.2 2 7 0 88 345.399 5 ↓

Analogs

22315993
22315993
22315998
22315998
22316001
22316001
22316005
22316005
25004543
25004543

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide 2-(1,3-dioxo-2,4-diazaspiro[4.4]…

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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) 2.22 4.7 -16.34 2 7 0 88 345.399 5 ↓

Analogs

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Popular Name: (2R)-2-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)-N-methyl-N-(o-tolylmethyl)propanamide (2R)-2-(1,3-dioxo-2,4-diazaspiro…

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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) 2.13 8.4 -15.04 1 6 0 70 343.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1,3-dioxo-2,4-diazaspiro[4.4]nonan-2-yl)-N-methyl-N-(o-tolylmethyl)propanamide (2S)-2-(1,3-dioxo-2,4-diazaspiro…

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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) 2.13 8.84 -14.81 1 6 0 70 343.427 4 ↓

Parameters Provided:

ring.id = 27952
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 = 27952 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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