UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[3-(difluoromethoxy)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-[3-(difluoromethoxy)phenyl]-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) 1.65 -0.37 -44.75 2 8 -1 120 347.257 4 ↓
Lo Low (pH 4.5-6) 1.19 1.56 -17.47 3 8 0 117 348.265 4 ↓

Analogs

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Popular Name: N-ethyl-2,4-dioxo-N-phenyl-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-ethyl-2,4-dioxo-N-phenyl-1H-py…

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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) 1.68 1.63 -40.29 1 7 -1 102 309.305 3 ↓
Lo Low (pH 4.5-6) 1.22 3.56 -11.98 2 7 0 99 310.313 3 ↓

Analogs

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Popular Name: N-(2-isopropoxyphenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-(2-isopropoxyphenyl)-2,4-dioxo…

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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) 1.80 1.06 -41.01 2 8 -1 120 339.331 4 ↓
Lo Low (pH 4.5-6) 1.35 3.04 -11.88 3 8 0 117 340.339 4 ↓

Analogs

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Popular Name: N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-[2-ethoxy-5-(trifluoromethyl)p…

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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) 2.31 1.42 -42.19 2 8 -1 120 393.301 5 ↓
Lo Low (pH 4.5-6) 1.86 3.36 -13.71 3 8 0 117 394.309 5 ↓

Analogs

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Popular Name: N-(3-isopropylphenyl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-(3-isopropylphenyl)-N-methyl-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) 2.79 2.87 -40.99 1 7 -1 102 337.359 3 ↓
Lo Low (pH 4.5-6) 2.33 4.8 -13.08 2 7 0 99 338.367 3 ↓

Analogs

55642219
55642219

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Popular Name: N-[4-[(1S)-1-methylpropoxy]phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-[4-[(1S)-1-methylpropoxy]pheny…

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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) 2.36 1.75 -41.59 2 8 -1 120 353.358 5 ↓
Lo Low (pH 4.5-6) 1.90 3.68 -14.09 3 8 0 117 354.366 5 ↓

Analogs

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Popular Name: N-(4-fluorophenyl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-(4-fluorophenyl)-N-methyl-2,4-…

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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) 1.47 1.04 -40.97 1 7 -1 102 313.268 2 ↓
Lo Low (pH 4.5-6) 1.01 2.98 -14.34 2 7 0 99 314.276 2 ↓

Analogs

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Popular Name: N-(2-isobutoxyphenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-(2-isobutoxyphenyl)-2,4-dioxo-…

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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) 2.19 1.89 -40.59 2 8 -1 120 353.358 5 ↓
Lo Low (pH 4.5-6) 1.73 3.84 -11.37 3 8 0 117 354.366 5 ↓

Analogs

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Popular Name: N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-[4-(dimethylamino)-2-(trifluor…

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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) 1.98 1.72 -39.12 2 8 -1 114 392.317 4 ↓
Lo Low (pH 4.5-6) 1.53 3.66 -10.44 3 8 0 111 393.325 4 ↓

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-(3,5-dimethylphenyl)-N-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) 2.13 2.28 -41.78 1 7 -1 102 323.332 2 ↓
Lo Low (pH 4.5-6) 1.67 4.21 -13.63 2 7 0 99 324.34 2 ↓

Analogs

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Popular Name: N-(4-tert-butylphenyl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-(4-tert-butylphenyl)-N-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) 3.01 3.27 -41.43 1 7 -1 102 351.386 3 ↓
Lo Low (pH 4.5-6) 2.55 5.21 -13.25 2 7 0 99 352.394 3 ↓

Analogs

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Popular Name: N-(5-chloro-2-hydroxy-phenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-(5-chloro-2-hydroxy-phenyl)-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) 1.44 -2.17 -41.33 3 8 -1 131 331.695 2 ↓
Lo Low (pH 4.5-6) 0.99 -0.24 -13.84 4 8 0 128 332.703 2 ↓

Analogs

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Popular Name: N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-[4-fluoro-3-(trifluoromethyl)p…

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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) 2.04 1.1 -39.59 2 7 -1 111 367.238 3 ↓
Lo Low (pH 4.5-6) 1.59 3.04 -14.17 3 7 0 108 368.246 3 ↓

Parameters Provided:

ring.id = 39148
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 = 39148 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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