UCSF
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Analogs

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Popular Name: N-benzyl-2-(3,5-dimethyl-2,4-dioxo-7-phenyl-pyrrolo[3,2-d]pyrimidin-1-yl)acetamide N-benzyl-2-(3,5-dimethyl-2,4-dio…

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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) 3.02 10.2 -16.35 1 7 0 78 402.454 5 ↓

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-2,4-dioxo-7-phenyl-pyrrolo[3,2-d]pyrimidin-1-yl)acetamide N-[(2-chlorophenyl)methyl]-2-(3,…

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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) 3.65 10.56 -17.47 1 7 0 78 436.899 5 ↓

Analogs

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Popular Name: 2-(3,5-dimethyl-2,4-dioxo-7-phenyl-pyrrolo[3,2-d]pyrimidin-1-yl)-N-(p-tolylmethyl)acetamide 2-(3,5-dimethyl-2,4-dioxo-7-phen…

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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) 3.47 10.53 -16.89 1 7 0 78 416.481 5 ↓

Analogs

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Popular Name: 2-(3,5-dimethyl-2,4-dioxo-7-phenyl-pyrrolo[3,2-d]pyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide 2-(3,5-dimethyl-2,4-dioxo-7-phen…

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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) 3.19 10.27 -16.92 1 7 0 78 420.444 5 ↓

Analogs

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Popular Name: 2-(3,5-dimethyl-2,4-dioxo-7-phenyl-pyrrolo[3,2-d]pyrimidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamid 2-(3,5-dimethyl-2,4-dioxo-7-phen…

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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) 3.08 9.5 -17.73 1 8 0 87 432.48 6 ↓

Analogs

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Popular Name: 2-(3,5-dimethyl-2,4-dioxo-7-phenyl-pyrrolo[3,2-d]pyrimidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamid 2-(3,5-dimethyl-2,4-dioxo-7-phen…

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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) 3.05 9.5 -16.94 1 8 0 87 432.48 6 ↓

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-2,4-dioxo-7-phenyl-pyrrolo[3,2-d]pyrimidin-1-yl)acetamide N-[(4-chlorophenyl)methyl]-2-(3,…

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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) 3.70 10.72 -16.41 1 7 0 78 436.899 5 ↓

Analogs

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Popular Name: N-[(2,3-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-2,4-dioxo-7-phenyl-pyrrolo[3,2-d]pyrimidin-1-yl)acet N-[(2,3-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) 2.84 9.39 -19.49 1 9 0 97 462.506 7 ↓

Analogs

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-2,4-dioxo-7-phenyl-pyrrolo[3,2-d]pyrimidin-1-yl)acet 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) 2.67 9.4 -19.59 1 9 0 97 462.506 7 ↓

Analogs

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Popular Name: N-[(3-chloro-4-fluoro-phenyl)methyl]-2-(3,5-dimethyl-2,4-dioxo-7-phenyl-pyrrolo[3,2-d]pyrimidin-1-yl N-[(3-chloro-4-fluoro-phenyl)met…

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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) 3.79 10.76 -16.8 1 7 0 78 454.889 5 ↓

Parameters Provided:

ring.id = 505818
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 = 505818 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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