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

24834040
24834040
123046
123046

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile 4-[(4-amino-5,6-dimethyl-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) 4.33 9.07 -12.5 2 4 0 76 326.45 3 ↓
Lo Low (pH 4.5-6) 4.33 6.13 -34.97 3 4 1 77 327.458 3 ↓

Analogs

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Popular Name: 2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzamide 2-[(4-aminothieno[2,3-d]pyrimidi…

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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) 2.75 3.78 -17.36 4 5 0 95 316.411 4 ↓

Analogs

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Popular Name: 2-[(2-bromo-5-fluoro-phenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine 2-[(2-bromo-5-fluoro-phenyl)meth…

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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) 4.88 7.59 -9.51 2 3 0 52 370.272 3 ↓

Analogs

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Popular Name: 2-[(2,4-difluorophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine 2-[(2,4-difluorophenyl)methylsul…

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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) 4.23 7.1 -10.23 2 3 0 52 309.366 3 ↓

Analogs

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Popular Name: 2-[(4-ethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine 2-[(4-ethylphenyl)methylsulfanyl…

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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) 4.89 8.45 -9.37 2 3 0 52 301.44 4 ↓

Analogs

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Popular Name: 2-[(3,4-dimethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine 2-[(3,4-dimethylphenyl)methylsul…

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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) 4.80 8.23 -9.67 2 3 0 52 301.44 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine 2-[[3-(2,2,2-trifluoroethoxy)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) 4.93 7.7 -12.56 2 4 0 61 371.409 6 ↓

Analogs

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Popular Name: 2-[(1S)-1-(3-nitrophenyl)ethyl]sulfanylthieno[2,3-d]pyrimidin-4-amine 2-[(1S)-1-(3-nitrophenyl)ethyl]s…

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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) 4.27 8.57 -12.77 2 6 0 98 332.41 4 ↓

Analogs

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Popular Name: 2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanylthieno[2,3-d]pyrimidin-4-amine 2-[(1R)-1-(3-nitrophenyl)ethyl]s…

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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) 4.27 8.57 -12.78 2 6 0 98 332.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic-acid-methyl-ester 4-[[(4-amino-5,6-dimethyl-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) 4.74 -1.51 -13.09 2 5 0 78 359.476 5 ↓
Lo Low (pH 4.5-6) 4.74 -1.37 -29.73 3 5 1 79 360.484 5 ↓
Lo Low (pH 4.5-6) 4.74 -1.35 -40.29 3 5 1 79 360.484 5 ↓

Parameters Provided:

ring.id = 28374
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 = 28374 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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