UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36641015
36641015
36641017
36641017
36641019
36641019
3595903
3595903
3595904
3595904

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Popular Name: N-benzhydryl-N-methyl-2-[(5S,10R)-10-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide N-benzhydryl-N-methyl-2-[(5S,10R…

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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) 3.92 11.45 -13.94 1 6 0 70 419.525 5 ↓

Analogs

36641017
36641017
36641019
36641019
36641013
36641013
3595903
3595903

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzhydryl-N-methyl-2-[(5S,10S)-10-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide N-benzhydryl-N-methyl-2-[(5S,10S…

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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) 3.92 11.04 -14.45 1 6 0 70 419.525 5 ↓

Analogs

36641019
36641019
36641013
36641013
36641015
36641015
3595903
3595903

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzhydryl-N-methyl-2-[(5R,10R)-10-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide N-benzhydryl-N-methyl-2-[(5R,10R…

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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) 3.92 11.05 -14.83 1 6 0 70 419.525 5 ↓

Analogs

36641013
36641013
36641015
36641015
36641017
36641017
3595903
3595903

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzhydryl-N-methyl-2-[(5R,10S)-10-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide N-benzhydryl-N-methyl-2-[(5R,10S…

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Activity (Go SEA)

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) 3.92 11.47 -14.29 1 6 0 70 419.525 5 ↓

Analogs

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Popular Name: 2-[(5R,6S)-6-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]-N-[(S)-phenyl-(p-tolyl)methyl]acetamide 2-[(5R,6S)-6-methyl-1,3-dioxo-2,…

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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) 4.62 10.82 -14.43 2 6 0 79 419.525 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5S,6S)-6-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]-N-[(S)-phenyl-(p-tolyl)methyl]acetamide 2-[(5S,6S)-6-methyl-1,3-dioxo-2,…

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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) 4.62 10.43 -15.28 2 6 0 79 419.525 5 ↓

Analogs

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Popular Name: 2-(8-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-N-[(S)-phenyl-(p-tolyl)methyl]acetamide 2-(8-methyl-1,3-dioxo-2,4-diazas…

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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) 4.16 10.68 -14.64 2 6 0 79 419.525 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(8-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-N-[(R)-phenyl-(p-tolyl)methyl]acetamide 2-(8-methyl-1,3-dioxo-2,4-diazas…

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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) 4.16 10.69 -14.43 2 6 0 79 419.525 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5S,6S)-6-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]-N-[(R)-phenyl(p-tolyl)methyl]acetamide 2-[(5S,6S)-6-methyl-1,3-dioxo-2,…

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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) 4.62 10.45 -15.2 2 6 0 79 419.525 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5R,6S)-6-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]-N-[(R)-phenyl(p-tolyl)methyl]acetamide 2-[(5R,6S)-6-methyl-1,3-dioxo-2,…

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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) 4.62 10.83 -14.31 2 6 0 79 419.525 5 ↓

Parameters Provided:

ring.id = 106539
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 = 106539 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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