UCSF
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Analogs

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Popular Name: (2R)-2-phenyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propanoic (2R)-2-phenyl-2-(thieno[3,2-d]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) 2.55 8.98 -54.89 1 5 -1 78 298.347 4 ↓
Lo Low (pH 4.5-6) 2.55 9.44 -45.42 2 5 0 79 299.355 4 ↓

Analogs

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Popular Name: (2S)-2-phenyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propanoic (2S)-2-phenyl-2-(thieno[3,2-d]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) 2.55 8.98 -54.9 1 5 -1 78 298.347 4 ↓
Lo Low (pH 4.5-6) 2.55 9.44 -45.36 2 5 0 79 299.355 4 ↓

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine N-[[4-(2-aminoethyl)phenyl]methy…

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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) 1.66 6.26 -51.63 4 4 1 65 285.396 5 ↓
Lo Low (pH 4.5-6) 1.66 6.72 -80.27 5 4 2 67 286.404 5 ↓

Analogs

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Popular Name: N-[(3-aminophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine N-[(3-aminophenyl)methyl]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) 1.73 5.31 -7.87 3 4 0 64 256.334 3 ↓
Lo Low (pH 4.5-6) 1.73 5.77 -29.29 4 4 1 65 257.342 3 ↓

Analogs

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Popular Name: N-[(2,3-dimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine N-[(2,3-dimethoxyphenyl)methyl]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) 2.50 7.12 -10.49 1 5 0 56 301.371 5 ↓
Lo Low (pH 4.5-6) 2.50 7.58 -32.2 2 5 1 58 302.379 5 ↓

Analogs

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Popular Name: N-[(2,4-dimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine N-[(2,4-dimethoxyphenyl)methyl]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) 2.72 6.07 -9.73 1 5 0 56 301.371 5 ↓
Lo Low (pH 4.5-6) 2.72 6.53 -30.62 2 5 1 58 302.379 5 ↓

Analogs

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Popular Name: (2S)-2-phenyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanol (2S)-2-phenyl-2-(thieno[3,2-d]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) 2.23 5.12 -8.38 2 4 0 58 271.345 4 ↓

Analogs

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Popular Name: (2R)-2-phenyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanol (2R)-2-phenyl-2-(thieno[3,2-d]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) 2.23 5.12 -8.37 2 4 0 58 271.345 4 ↓

Analogs

53158908
53158908

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Popular Name: N-[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine N-[(1S)-1-(3-chloro-4-fluoro-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) 4.01 8.86 -8.65 1 3 0 38 307.781 3 ↓
Lo Low (pH 4.5-6) 4.01 9.32 -33.57 2 3 1 39 308.789 3 ↓

Analogs

53158908
53158908

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Popular Name: N-[(1R)-1-(3-chloro-4-fluoro-phenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine N-[(1R)-1-(3-chloro-4-fluoro-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) 4.01 8.86 -8.66 1 3 0 38 307.781 3 ↓
Lo Low (pH 4.5-6) 4.01 9.31 -33.58 2 3 1 39 308.789 3 ↓

Analogs

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Popular Name: N-[(4-methylsulfanylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine N-[(4-methylsulfanylphenyl)methy…

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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) 3.11 8.46 -8.03 1 3 0 38 287.413 4 ↓
Lo Low (pH 4.5-6) 3.11 8.92 -31.04 2 3 1 39 288.421 4 ↓

Analogs

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Popular Name: N-[(4-bromo-2-chloro-phenyl)methyl]thieno[3,2-d]pyrimidin-4-amine N-[(4-bromo-2-chloro-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) 4.09 8.51 -7.34 1 3 0 38 354.66 3 ↓
Lo Low (pH 4.5-6) 4.09 8.97 -30.4 2 3 1 39 355.668 3 ↓

Analogs

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Popular Name: N-[(2-bromo-5-methoxy-phenyl)methyl]thieno[3,2-d]pyrimidin-4-amine N-[(2-bromo-5-methoxy-phenyl)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) 3.47 7.31 -8.3 1 4 0 47 350.241 4 ↓
Lo Low (pH 4.5-6) 3.47 7.77 -29.35 2 4 1 48 351.249 4 ↓

Analogs

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Popular Name: N-[(3-methoxy-4-methyl-phenyl)methyl]thieno[3,2-d]pyrimidin-4-amine N-[(3-methoxy-4-methyl-phenyl)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) 3.11 7.48 -8.34 1 4 0 47 285.372 4 ↓
Lo Low (pH 4.5-6) 3.11 7.94 -31.18 2 4 1 48 286.38 4 ↓

Analogs

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Popular Name: N-[(3-nitrophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine N-[(3-nitrophenyl)methyl]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) 2.61 8.16 -12.16 1 6 0 84 286.316 4 ↓
Lo Low (pH 4.5-6) 2.61 8.61 -37.38 2 6 1 85 287.324 4 ↓

Analogs

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Popular Name: 4-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]benzoic 4-[(thieno[3,2-d]pyrimidin-4-yla…

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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) 2.59 8.01 -51.17 1 5 -1 78 284.32 4 ↓
Lo Low (pH 4.5-6) 2.59 8.47 -67.85 2 5 0 79 285.328 4 ↓

Analogs

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Popular Name: 3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]benzoic 3-[(thieno[3,2-d]pyrimidin-4-yla…

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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) 2.56 8 -53.22 1 5 -1 78 284.32 4 ↓
Lo Low (pH 4.5-6) 2.56 8.46 -65.12 2 5 0 79 285.328 4 ↓

Analogs

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Popular Name: 4-[[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]methyl]benzoic 4-[[methyl(thieno[3,2-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) 2.83 9.77 -56.58 0 5 -1 69 298.347 4 ↓
Lo Low (pH 4.5-6) 2.83 10.23 -66.25 1 5 0 70 299.355 4 ↓

Analogs

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Popular Name: N-[(3,4-difluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine N-[(3,4-difluorophenyl)methyl]th…

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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) 2.93 7.56 -9.27 1 3 0 38 277.299 3 ↓
Lo Low (pH 4.5-6) 2.93 8.02 -34.62 2 3 1 39 278.307 3 ↓

Analogs

42099523
42099523

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Popular Name: N-[(1S)-1-(2,5-difluorophenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine N-[(1S)-1-(2,5-difluorophenyl)et…

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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 8.45 -7.93 1 3 0 38 291.326 3 ↓
Lo Low (pH 4.5-6) 3.49 8.91 -30.1 2 3 1 39 292.334 3 ↓

Analogs

42099522
42099522

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Popular Name: N-[(1R)-1-(2,5-difluorophenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine N-[(1R)-1-(2,5-difluorophenyl)et…

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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 8.43 -7.91 1 3 0 38 291.326 3 ↓
Lo Low (pH 4.5-6) 3.49 8.89 -30.06 2 3 1 39 292.334 3 ↓

Analogs

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Popular Name: N-[(4-bromophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine N-[(4-bromophenyl)methyl]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 8.07 -7.17 1 3 0 38 320.215 3 ↓
Lo Low (pH 4.5-6) 3.49 8.52 -30.99 2 3 1 39 321.223 3 ↓

Parameters Provided:

ring.id = 30322
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 = 30322 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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