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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

5801999
5801999

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[6-(4-fluorophenyl)-4-oxo-thieno[3,2-d]pyrimidin-3-yl]propanenitrile 3-[6-(4-fluorophenyl)-4-oxo-thie…

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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) 2.35 9.47 -17.39 0 4 0 59 299.33 3 ↓

Analogs

5325831
5325831
5325834
5325834
5325835
5325835
5325845
5325845
5325846
5325846

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Popular Name: N,N-diallyl-2-[6-(4-methoxyphenyl)-4-oxo-thieno[3,2-d]pyrimidin-3-yl]acetamide N,N-diallyl-2-[6-(4-methoxypheny…

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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) 3.43 11.02 -20.46 0 6 0 64 395.484 8 ↓

Analogs

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Popular Name: 6-(3,4,5-trifluorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one 6-(3,4,5-trifluorophenyl)-3H-thi…

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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 6.38 -13.22 1 3 0 46 282.246 1 ↓
Hi High (pH 8-9.5) 3.47 4.27 -42.61 0 3 -1 49 281.238 1 ↓

Analogs

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Popular Name: N-(2-butoxyethyl)-2-(4-oxo-6-phenyl-thieno[3,2-d]pyrimidin-3-yl)acetamide N-(2-butoxyethyl)-2-(4-oxo-6-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) 3.26 9.2 -21.33 1 6 0 73 385.489 9 ↓

Analogs

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Popular Name: N-carbamoyl-3-[6-(4-chlorophenyl)-4-oxo-thieno[3,2-d]pyrimidin-3-yl]propanamide N-carbamoyl-3-[6-(4-chlorophenyl…

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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 6.52 -25.89 3 7 0 107 376.825 4 ↓

Analogs

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Popular Name: 6-(5-bromo-2-chloro-phenyl)-3H-thieno[3,2-d]pyrimidin-4-one 6-(5-bromo-2-chloro-phenyl)-3H-t…

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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) 4.08 7.32 -12.65 1 3 0 46 341.617 1 ↓
Hi High (pH 8-9.5) 4.54 5.21 -46.25 0 3 -1 49 340.609 1 ↓

Analogs

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Popular Name: 6-[3-(difluoromethoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one 6-[3-(difluoromethoxy)phenyl]-3H…

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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) 3.25 5.78 -15.59 1 4 0 55 294.282 3 ↓
Hi High (pH 8-9.5) 3.71 3.68 -49.02 0 4 -1 58 293.274 3 ↓

Analogs

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Popular Name: 6-(2-bromo-5-methoxy-phenyl)-3H-thieno[3,2-d]pyrimidin-4-one 6-(2-bromo-5-methoxy-phenyl)-3H-…

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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) 3.46 6.04 -13.77 1 4 0 55 337.198 2 ↓
Hi High (pH 8-9.5) 3.91 3.94 -48.19 0 4 -1 58 336.19 2 ↓

Analogs

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Popular Name: 6-(4-chloro-2-nitro-phenyl)-3H-thieno[3,2-d]pyrimidin-4-one 6-(4-chloro-2-nitro-phenyl)-3H-t…

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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) 3.23 7.23 -17.72 1 6 0 92 307.718 2 ↓
Mid Mid (pH 6-8) 3.69 5.13 -53.03 0 6 -1 95 306.71 2 ↓

Analogs

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Popular Name: 6-(3,4-dichlorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one 6-(3,4-dichlorophenyl)-3H-thieno…

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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) 3.95 7.16 -12.12 1 3 0 46 297.166 1 ↓
Hi High (pH 8-9.5) 4.41 5.05 -43.49 0 3 -1 49 296.158 1 ↓

Analogs

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Popular Name: 6-(3,5-dimethoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one 6-(3,5-dimethoxyphenyl)-3H-thien…

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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) 2.71 4.8 -14.74 1 5 0 64 288.328 3 ↓
Hi High (pH 8-9.5) 3.16 2.69 -49.02 0 5 -1 67 287.32 3 ↓

Analogs

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Popular Name: 6-(2,4-dimethylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one 6-(2,4-dimethylphenyl)-3H-thieno…

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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) 3.49 7.49 -12.68 1 3 0 46 256.33 1 ↓
Hi High (pH 8-9.5) 3.95 5.39 -47.53 0 3 -1 49 255.322 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3,5-dichlorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one 6-(3,5-dichlorophenyl)-3H-thieno…

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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) 3.95 7.2 -11.56 1 3 0 46 297.166 1 ↓
Hi High (pH 8-9.5) 4.41 5.1 -43.55 0 3 -1 49 296.158 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2,5-dimethylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one 6-(2,5-dimethylphenyl)-3H-thieno…

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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) 3.49 7.35 -12.72 1 3 0 46 256.33 1 ↓
Hi High (pH 8-9.5) 3.95 5.25 -47.6 0 3 -1 49 255.322 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3,4-difluorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one 6-(3,4-difluorophenyl)-3H-thieno…

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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) 2.92 6.31 -13.17 1 3 0 46 264.256 1 ↓
Hi High (pH 8-9.5) 3.38 4.21 -43.93 0 3 -1 49 263.248 1 ↓

Analogs

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Popular Name: 6-(5-chloro-2-methoxy-phenyl)-3H-thieno[3,2-d]pyrimidin-4-one 6-(5-chloro-2-methoxy-phenyl)-3H…

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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) 3.33 6.2 -14.23 1 4 0 55 292.747 2 ↓
Hi High (pH 8-9.5) 3.78 4.08 -49.43 0 4 -1 58 291.739 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3,5-difluorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one 6-(3,5-difluorophenyl)-3H-thieno…

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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) 2.92 6.33 -12.06 1 3 0 46 264.256 1 ↓
Hi High (pH 8-9.5) 3.38 4.22 -43.59 0 3 -1 49 263.248 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2,3-dichlorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one 6-(2,3-dichlorophenyl)-3H-thieno…

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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) 3.92 7.13 -13.51 1 3 0 46 297.166 1 ↓
Hi High (pH 8-9.5) 4.38 5.02 -46.68 0 3 -1 49 296.158 1 ↓

Analogs

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Popular Name: 6-(5-chloro-2-fluoro-phenyl)-3H-thieno[3,2-d]pyrimidin-4-one 6-(5-chloro-2-fluoro-phenyl)-3H-…

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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) 3.43 6.86 -13.42 1 3 0 46 280.711 1 ↓
Hi High (pH 8-9.5) 3.89 4.75 -47.49 0 3 -1 49 279.703 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2,4-dimethoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one 6-(2,4-dimethoxyphenyl)-3H-thien…

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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) 2.71 5 -15.74 1 5 0 64 288.328 3 ↓
Hi High (pH 8-9.5) 3.16 2.88 -51.35 0 5 -1 67 287.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-methyl-3-nitro-phenyl)-3H-thieno[3,2-d]pyrimidin-4-one 6-(4-methyl-3-nitro-phenyl)-3H-t…

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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) 3.00 7.52 -18.83 1 6 0 92 287.3 2 ↓
Mid Mid (pH 6-8) 3.46 5.41 -51.72 0 6 -1 95 286.292 2 ↓

Analogs

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Popular Name: N-[3-(3-allyl-4-oxo-6-phenyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylpropyl]acetamide N-[3-(3-allyl-4-oxo-6-phenyl-thi…

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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) 3.71 9.92 -17.26 1 5 0 64 399.541 8 ↓

Analogs

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Popular Name: 2-[6-(4-methoxyphenyl)-4-oxo-thieno[3,2-d]pyrimidin-3-yl]-N-pentyl-acetamide 2-[6-(4-methoxyphenyl)-4-oxo-thi…

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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) 3.84 9.19 -20.99 1 6 0 73 385.489 8 ↓

Parameters Provided:

ring.id = 37604
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 = 37604 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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