UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-propanamide 3-[(4R)-2,5-dioxoimidazolidin-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) 0.93 3.68 -17.27 2 6 0 79 307.325 5 ↓
Hi High (pH 8-9.5) 1.12 1.02 -50.09 1 6 -1 85 306.317 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-propanamide 3-[(4R)-2,5-dioxoimidazolidin-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) 0.93 2.89 -18.34 2 6 0 79 307.325 5 ↓
Hi High (pH 8-9.5) 1.12 0.23 -51.07 1 6 -1 85 306.317 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-propanamide 3-[(4S)-2,5-dioxoimidazolidin-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) 0.93 3.68 -17.3 2 6 0 79 307.325 5 ↓
Hi High (pH 8-9.5) 1.12 1.02 -50.4 1 6 -1 85 306.317 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-propanamide 3-[(4S)-2,5-dioxoimidazolidin-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) 0.93 2.89 -18.13 2 6 0 79 307.325 5 ↓
Hi High (pH 8-9.5) 1.12 0.23 -50.81 1 6 -1 85 306.317 5 ↓

Analogs

14240776
14240776

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-propanamide N-[(3,4-dimethoxyphenyl)methyl]-…

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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) -0.14 1.86 -20.22 2 8 0 97 335.36 7 ↓

Analogs

14240775
14240775

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-methyl-propanamide N-[(3,4-dimethoxyphenyl)methyl]-…

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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) -0.14 1.81 -21.32 2 8 0 97 335.36 7 ↓

Analogs

42084666
42084666

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Popular Name: 3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-(p-tolylmethyl)propanamide 3-[(4R)-2,5-dioxoimidazolidin-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) 0.41 1.22 -15.66 3 6 0 87 275.308 5 ↓
Hi High (pH 8-9.5) 0.60 -1.43 -48.77 2 6 -1 94 274.3 5 ↓

Analogs

42084665
42084665

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Popular Name: 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(p-tolylmethyl)propanamide 3-[(4S)-2,5-dioxoimidazolidin-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) 0.41 1.22 -15.66 3 6 0 87 275.308 5 ↓
Hi High (pH 8-9.5) 0.60 -1.44 -48.79 2 6 -1 94 274.3 5 ↓

Parameters Provided:

ring.id = 38221
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 = 38221 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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