UCSF
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Analogs

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Popular Name: N-(1,3-dimethyl-2,4-dioxo-pyrido[3,2-e]pyrimidin-5-yl)-4-isopropoxy-benzamide N-(1,3-dimethyl-2,4-dioxo-pyrido…

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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) 1.48 7.52 -9.16 1 8 0 95 368.393 4 ↓

Analogs

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Popular Name: N-(1,3-dimethyl-2,4-dioxo-pyrido[3,2-e]pyrimidin-5-yl)-2,4-dimethoxy-benzamide N-(1,3-dimethyl-2,4-dioxo-pyrido…

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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) 1.27 6.31 -11.67 1 9 0 104 370.365 4 ↓

Analogs

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Popular Name: N-(1,3-dimethyl-2,4-dioxo-pyrido[3,2-e]pyrimidin-5-yl)-3,5-dimethoxy-benzamide N-(1,3-dimethyl-2,4-dioxo-pyrido…

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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) 0.73 5.14 -10.88 1 9 0 104 370.365 4 ↓

Analogs

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Popular Name: N-(1,3-dimethyl-2,4-dioxo-pyrido[3,2-e]pyrimidin-5-yl)-3,4,5-trimethoxy-benzamide N-(1,3-dimethyl-2,4-dioxo-pyrido…

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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) 0.32 5.75 -11.67 1 10 0 114 400.391 5 ↓

Analogs

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Popular Name: N-(1,3-dimethyl-2,4-dioxo-pyrido[3,2-e]pyrimidin-5-yl)-2-fluoro-benzamide N-(1,3-dimethyl-2,4-dioxo-pyrido…

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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) 0.80 6.68 -11.72 1 7 0 86 328.303 2 ↓

Analogs

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Popular Name: N-(1,3-dimethyl-2,4-dioxo-pyrido[3,2-e]pyrimidin-5-yl)-3-fluoro-benzamide N-(1,3-dimethyl-2,4-dioxo-pyrido…

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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) 0.82 6.67 -9.14 1 7 0 86 328.303 2 ↓

Analogs

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Popular Name: N-(1,3-dimethyl-2,4-dioxo-pyrido[3,2-e]pyrimidin-5-yl)-4-fluoro-benzamide N-(1,3-dimethyl-2,4-dioxo-pyrido…

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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) 0.85 6.67 -8.45 1 7 0 86 328.303 2 ↓

Analogs

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Popular Name: 2-chloro-N-(1,3-dimethyl-2,4-dioxo-pyrido[3,2-e]pyrimidin-5-yl)benzamide 2-chloro-N-(1,3-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) 1.31 7.11 -10.08 1 7 0 86 344.758 2 ↓

Analogs

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Popular Name: 3-chloro-N-(1,3-dimethyl-2,4-dioxo-pyrido[3,2-e]pyrimidin-5-yl)benzamide 3-chloro-N-(1,3-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) 1.34 7.12 -8.62 1 7 0 86 344.758 2 ↓

Analogs

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Popular Name: 4-chloro-N-(1,3-dimethyl-2,4-dioxo-pyrido[3,2-e]pyrimidin-5-yl)benzamide 4-chloro-N-(1,3-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) 1.36 7.12 -8.12 1 7 0 86 344.758 2 ↓

Analogs

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Popular Name: N-(1,3-dimethyl-2,4-dioxo-pyrido[3,2-e]pyrimidin-5-yl)-2,6-difluoro-benzamide N-(1,3-dimethyl-2,4-dioxo-pyrido…

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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) 0.92 6.51 -12.32 1 7 0 86 346.293 2 ↓

Analogs

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Popular Name: N-(1,3-dimethyl-2,4-dioxo-pyrido[3,2-e]pyrimidin-5-yl)-3,4-difluoro-benzamide N-(1,3-dimethyl-2,4-dioxo-pyrido…

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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) 0.94 6.72 -9.57 1 7 0 86 346.293 2 ↓

Analogs

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Popular Name: 5-chloro-N-(1,3-dimethyl-2,4-dioxo-pyrido[3,2-e]pyrimidin-5-yl)-2-methoxy-benzamide 5-chloro-N-(1,3-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) 1.89 7.44 -10.51 1 8 0 95 374.784 3 ↓

Analogs

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Popular Name: N-(1,3-dimethyl-2,4-dioxo-pyrido[3,2-e]pyrimidin-5-yl)-4-(trifluoromethyl)benzamide N-(1,3-dimethyl-2,4-dioxo-pyrido…

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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) 1.58 7.6 -8.66 1 7 0 86 378.31 3 ↓

Analogs

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Popular Name: N-(1,3-dimethyl-2,4-dioxo-pyrido[3,2-e]pyrimidin-5-yl)-2,4-difluoro-benzamide N-(1,3-dimethyl-2,4-dioxo-pyrido…

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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) 0.94 6.68 -9.9 1 7 0 86 346.293 2 ↓

Parameters Provided:

ring.id = 111364
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 = 111364 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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