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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25267072
25267072
39549237
39549237
39551447
39551447
44224156
44224156
44224771
44224771

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Popular Name: N-(3-acetamidophenyl)-1,3-dimethyl-2,4-dioxo-pyrido[5,6-e]pyrimidine-6-carboxamide N-(3-acetamidophenyl)-1,3-dimeth…

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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) -0.07 4.97 -21.25 2 9 0 115 367.365 3 ↓

Analogs

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Popular Name: N-(4-acetamido-3-chloro-phenyl)-1,3-dimethyl-2,4-dioxo-pyrido[5,6-e]pyrimidine-6-carboxamide N-(4-acetamido-3-chloro-phenyl)-…

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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) 0.56 5.61 -20.91 2 9 0 115 401.81 3 ↓

Analogs

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Popular Name: 1,3-dimethyl-N-[3-(methylcarbamoyl)phenyl]-2,4-dioxo-pyrido[5,6-e]pyrimidine-6-carboxamide 1,3-dimethyl-N-[3-(methylcarbamo…

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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) -0.09 4.32 -29.45 2 9 0 115 367.365 3 ↓

Analogs

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Popular Name: N-(3-methanesulfonamido-4-methoxy-phenyl)-1,3-dimethyl-2,4-dioxo-pyrido[5,6-e]pyrimidine-6-carboxami N-(3-methanesulfonamido-4-methox…

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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) -0.05 2.35 -21.57 2 11 0 141 433.446 5 ↓
Hi High (pH 8-9.5) -0.05 2.39 -46.56 1 11 -1 143 432.438 5 ↓

Analogs

39551447
39551447

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Popular Name: isopropyl isopropyl

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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 8.45 -16.63 1 9 0 112 396.403 5 ↓

Analogs

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Popular Name: 1,3-dimethyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[5,6-e]pyrimidine-6-carboxam 1,3-dimethyl-2,4-dioxo-N-[4-(2,2…

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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) 0.73 3.75 -25.47 2 10 0 132 471.417 6 ↓

Analogs

25267072
25267072
39549185
39549185

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Popular Name: N-[2-(difluoromethylsulfanyl)phenyl]-1,3-dimethyl-2,4-dioxo-pyrido[5,6-e]pyrimidine-6-carboxamide N-[2-(difluoromethylsulfanyl)phe…

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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 7.62 -14.53 1 7 0 86 392.387 4 ↓

Analogs

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Popular Name: N-(4-ethoxyphenyl)-1,3,7-trimethyl-2,4-dioxo-pyrido[2,3-d]pyrimidine-6-carboxamide N-(4-ethoxyphenyl)-1,3,7-trimeth…

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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) 1.56 7.04 -9.91 1 8 0 95 368.393 4 ↓

Analogs

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Popular Name: N-(2-chlorophenyl)-1-ethyl-7-methyl-2,4-dioxo-pyrido[2,3-d]pyrimidine-6-carboxamide N-(2-chlorophenyl)-1-ethyl-7-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) 2.06 6.24 -7.46 2 7 0 97 358.785 3 ↓
Hi High (pH 8-9.5) 2.52 3.72 -43.47 1 7 -1 100 357.777 3 ↓

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-1,7-dimethyl-2,4-dioxo-pyrido[2,3-d]pyrimidine-6-carboxamide N-(3-chloro-4-methyl-phenyl)-1,7…

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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) 2.11 5.7 -9.85 2 7 0 97 358.785 2 ↓
Hi High (pH 8-9.5) 2.57 3.19 -42.68 1 7 -1 100 357.777 2 ↓

Analogs

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Popular Name: N-(3-chlorophenyl)-1,7-dimethyl-2,4-dioxo-pyrido[2,3-d]pyrimidine-6-carboxamide N-(3-chlorophenyl)-1,7-dimethyl-…

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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) 1.71 5.11 -8.18 2 7 0 97 344.758 2 ↓

Analogs

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Popular Name: 1-ethyl-7-methyl-2,4-dioxo-N-(p-tolyl)pyrido[2,3-d]pyrimidine-6-carboxamide 1-ethyl-7-methyl-2,4-dioxo-N-(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) 1.88 6.28 -8.57 2 7 0 97 338.367 3 ↓
Hi High (pH 8-9.5) 2.34 3.76 -43.22 1 7 -1 100 337.359 3 ↓

Analogs

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Popular Name: 1-ethyl-N-(4-methoxyphenyl)-7-methyl-2,4-dioxo-pyrido[2,3-d]pyrimidine-6-carboxamide 1-ethyl-N-(4-methoxyphenyl)-7-me…

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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) 1.49 4.9 -9.72 2 8 0 106 354.366 4 ↓
Hi High (pH 8-9.5) 1.94 2.37 -43.81 1 8 -1 109 353.358 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-7-methyl-N-(o-tolyl)-2,4-dioxo-pyrido[2,3-d]pyrimidine-6-carboxamide 1-ethyl-7-methyl-N-(o-tolyl)-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) 1.83 6.5 -8.32 2 7 0 97 338.367 3 ↓
Hi High (pH 8-9.5) 2.29 3.97 -42.92 1 7 -1 100 337.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethoxyphenyl)-1,3,7-trimethyl-2,4-dioxo-pyrido[2,3-d]pyrimidine-6-carboxamide N-(2-ethoxyphenyl)-1,3,7-trimeth…

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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) 1.51 7.16 -8.38 1 8 0 95 368.393 4 ↓

Analogs

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Popular Name: N-(2-chlorophenyl)-1,3,7-trimethyl-2,4-dioxo-pyrido[2,3-d]pyrimidine-6-carboxamide N-(2-chlorophenyl)-1,3,7-trimeth…

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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) 1.75 7.43 -7.36 1 7 0 86 358.785 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-N-(2-methoxyphenyl)-7-methyl-2,4-dioxo-pyrido[2,3-d]pyrimidine-6-carboxamide 1-ethyl-N-(2-methoxyphenyl)-7-me…

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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 5.02 -8.49 2 8 0 106 354.366 4 ↓
Hi High (pH 8-9.5) 1.90 2.49 -44.8 1 8 -1 109 353.358 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-1,3,7-trimethyl-2,4-dioxo-pyrido[2,3-d]pyrimidine-6-carboxamide N-(5-chloro-2-methyl-phenyl)-1,3…

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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) 2.18 8.23 -9.26 1 7 0 86 372.812 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-1,7-dimethyl-2,4-dioxo-pyrido[2,3-d]pyrimidine-6-carboxamide N-(2-chlorophenyl)-1,7-dimethyl-…

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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 5.21 -7.41 2 7 0 97 344.758 2 ↓

Parameters Provided:

ring.id = 123398
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 123398 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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