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Analogs

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

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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) 4.18 7.96 -10.65 1 3 0 46 306.337 2 ↓

Analogs

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Popular Name: 5-ethyl-2-[3-(2-methoxyethoxy)phenyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one 5-ethyl-2-[3-(2-methoxyethoxy)ph…

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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) 3.85 7.33 -13.34 1 5 0 64 344.436 6 ↓

Analogs

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Popular Name: 4-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N,N-dimethyl-benzenesulfonamide 4-(5,6-dimethyl-4-oxo-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) 2.77 5.09 -14.57 1 6 0 83 363.464 3 ↓

Analogs

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Popular Name: 4-(5-ethyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N,N-dimethyl-benzenesulfonamide 4-(5-ethyl-6-methyl-4-oxo-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) 3.24 5.83 -14.56 1 6 0 83 377.491 4 ↓

Analogs

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Popular Name: 4-(6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N,N-dimethyl-benzenesulfonamide 4-(6-ethyl-4-oxo-3H-thieno[2,3-d…

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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) 2.97 5.29 -14.47 1 6 0 83 363.464 4 ↓

Analogs

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Popular Name: 4-(5-isobutyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N,N-dimethyl-benzenesulfonamide 4-(5-isobutyl-4-oxo-3H-thieno[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) 3.40 6.41 -14.2 1 6 0 83 391.518 5 ↓

Analogs

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Popular Name: 2-[4-(methoxymethyl)phenyl]-N,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide 2-[4-(methoxymethyl)phenyl]-N,5-…

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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) 2.62 4.51 -13.48 2 6 0 84 343.408 4 ↓
Hi High (pH 8-9.5) 3.08 2.78 -49.31 1 6 -1 87 342.4 4 ↓

Analogs

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Popular Name: allyl allyl

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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) 4.21 8.71 -11.6 1 5 0 72 362.357 5 ↓
Hi High (pH 8-9.5) 4.66 7 -39.93 0 5 -1 75 361.349 5 ↓

Analogs

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Popular Name: allyl allyl

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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) 3.88 8.31 -10.95 1 6 0 81 370.43 7 ↓
Hi High (pH 8-9.5) 4.34 6.6 -46.41 0 6 -1 84 369.422 7 ↓

Analogs

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Popular Name: methyl 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) 3.56 7.2 -12 1 5 0 72 336.319 3 ↓
Hi High (pH 8-9.5) 4.02 5.49 -40.29 0 5 -1 75 335.311 3 ↓

Analogs

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Popular Name: 2-(4-chloro-3-nitro-phenyl)-3H-thieno[3,2-e]pyrimidin-4-one 2-(4-chloro-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) 3.42 6.77 -14.52 1 6 0 92 307.718 2 ↓
Hi High (pH 8-9.5) 3.88 5.83 -38.93 0 6 -1 95 306.71 2 ↓

Analogs

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Popular Name: 2-(4-acetylphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one 2-(4-acetylphenyl)-5,6-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) 3.36 7.5 -12.84 1 4 0 63 298.367 2 ↓

Analogs

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

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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) 4.14 5.84 -9.96 2 5 0 75 395.278 3 ↓
Hi High (pH 8-9.5) 4.60 6.18 -41.24 1 5 -1 82 394.27 3 ↓

Analogs

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Popular Name: 2-(4-isopropoxy-3-methoxy-phenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one 2-(4-isopropoxy-3-methoxy-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) 3.84 7.84 -11.83 1 5 0 64 344.436 4 ↓

Analogs

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Popular Name: 2-(3-chloro-4-ethoxy-5-methoxy-phenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one 2-(3-chloro-4-ethoxy-5-methoxy-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) 4.28 7.9 -9.79 1 5 0 64 364.854 4 ↓

Analogs

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Popular Name: 4-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzenesulfonamide 4-(5,6-dimethyl-4-oxo-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) 2.15 2.06 -16.23 3 6 0 106 335.41 2 ↓

Analogs

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Popular Name: N-[4-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)phenyl]acetamide N-[4-(5,6-dimethyl-4-oxo-3H-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) 2.68 6 -14.88 2 5 0 75 313.382 2 ↓

Analogs

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Popular Name: N-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)phenyl]methanesulfonamide N-[3-(5,6-dimethyl-4-oxo-3H-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) 2.67 3.88 -42.81 1 6 -1 94 348.429 3 ↓
Lo Low (pH 4.5-6) 2.67 3.84 -16.06 2 6 0 92 349.437 3 ↓

Analogs

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Popular Name: 2-(4-acetylphenyl)-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one 2-(4-acetylphenyl)-5-ethyl-6-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) 3.82 8.24 -12.71 1 4 0 63 312.394 3 ↓

Analogs

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

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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) 3.88 8.55 -11.69 1 6 0 92 315.354 3 ↓
Hi High (pH 8-9.5) 4.34 6.86 -42.81 0 6 -1 95 314.346 3 ↓

Analogs

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

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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) 3.57 7.05 -12.16 1 5 0 64 330.409 4 ↓

Analogs

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Popular Name: 4-(5-ethyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzenesulfonamide 4-(5-ethyl-6-methyl-4-oxo-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) 2.62 2.79 -16.13 3 6 0 106 349.437 3 ↓

Analogs

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Popular Name: N-[4-(5-ethyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)phenyl]acetamide N-[4-(5-ethyl-6-methyl-4-oxo-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) 3.14 6.74 -14.9 2 5 0 75 327.409 3 ↓

Analogs

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Popular Name: 2-(4-acetylphenyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one 2-(4-acetylphenyl)-6-ethyl-3H-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) 3.55 7.7 -12.81 1 4 0 63 298.367 3 ↓

Analogs

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Popular Name: 4-(6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzenesulfonamide 4-(6-ethyl-4-oxo-3H-thieno[2,3-d…

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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 2.26 -16.1 3 6 0 106 335.41 3 ↓

Analogs

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Popular Name: 2-methoxyethyl 2-methoxyethyl

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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) 3.76 7.74 -12.06 1 6 0 81 378.837 6 ↓
Hi High (pH 8-9.5) 4.21 6.04 -45.33 0 6 -1 84 377.829 6 ↓

Analogs

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Popular Name: 2-methoxyethyl 2-methoxyethyl

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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) 4.02 8.68 -10.98 1 6 0 81 372.446 7 ↓
Hi High (pH 8-9.5) 4.48 6.98 -46.19 0 6 -1 84 371.438 7 ↓

Analogs

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Popular Name: 2-methoxyethyl 2-methoxyethyl

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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) 3.64 7.94 -11.21 1 6 0 81 376.409 6 ↓
Hi High (pH 8-9.5) 4.10 6.25 -43.47 0 6 -1 84 375.401 6 ↓

Analogs

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Popular Name: 2-methoxyethyl 2-methoxyethyl

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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) 3.27 7.3 -11.59 1 6 0 81 362.382 6 ↓
Hi High (pH 8-9.5) 3.73 5.59 -42.11 0 6 -1 84 361.374 6 ↓

Analogs

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Popular Name: 2-methoxyethyl 2-methoxyethyl

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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) 3.24 7.3 -12.56 1 6 0 81 362.382 6 ↓
Hi High (pH 8-9.5) 3.70 5.59 -46.1 0 6 -1 84 361.374 6 ↓

Analogs

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Popular Name: allyl allyl

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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) 3.91 9.3 -12.93 1 8 0 118 371.374 6 ↓
Mid Mid (pH 6-8) 4.37 7.59 -37.58 0 8 -1 121 370.366 6 ↓

Analogs

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Popular Name: allyl allyl

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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) 3.17 7.47 -15 2 7 0 101 383.429 6 ↓
Hi High (pH 8-9.5) 3.63 5.73 -48.77 1 7 -1 104 382.421 6 ↓

Analogs

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Popular Name: allyl allyl

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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 8.65 -10.8 1 5 0 72 344.367 5 ↓
Hi High (pH 8-9.5) 4.55 6.94 -43.92 0 5 -1 75 343.359 5 ↓

Analogs

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Popular Name: methyl 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) 3.21 7.48 -13.84 1 6 0 89 342.376 4 ↓
Hi High (pH 8-9.5) 3.66 5.76 -43.37 0 6 -1 92 341.368 4 ↓

Analogs

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

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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) 4.30 5.56 -11.1 2 4 0 66 300.383 2 ↓
Hi High (pH 8-9.5) 4.76 3.72 -53.87 1 4 -1 69 299.375 2 ↓

Analogs

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Popular Name: 6-tert-butyl-2-(3-ethoxy-4-hydroxy-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one 6-tert-butyl-2-(3-ethoxy-4-hydro…

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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) 4.52 6.49 -11.32 2 5 0 75 344.436 4 ↓

Analogs

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

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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) 4.73 7.91 -12.94 1 5 0 64 358.463 6 ↓
Hi High (pH 8-9.5) 5.18 6.07 -58.81 0 5 -1 67 357.455 6 ↓

Analogs

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Popular Name: 4-(6-tert-butyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N,N-dimethyl-benzenesulfonamide 4-(6-tert-butyl-4-oxo-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) 4.12 6.41 -14.22 1 6 0 83 391.518 4 ↓
Hi High (pH 8-9.5) 4.58 4.58 -52.59 0 6 -1 86 390.51 4 ↓

Analogs

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Popular Name: 2-(2,4-dichlorophenyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one 2-(2,4-dichlorophenyl)-6-ethyl-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) 4.94 8.74 -9.45 1 3 0 46 325.22 2 ↓
Hi High (pH 8-9.5) 5.40 7.21 -47.04 0 3 -1 49 324.212 2 ↓

Analogs

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

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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 8.54 -9.63 1 3 0 46 325.22 1 ↓
Hi High (pH 8-9.5) 5.20 7.17 -45.74 0 3 -1 49 324.212 1 ↓

Analogs

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

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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) 3.08 6.52 -10 1 3 0 46 242.303 1 ↓

Analogs

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Popular Name: 6-ethyl-2-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one 6-ethyl-2-(3-methoxyphenyl)-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) 3.69 6.6 -11.04 1 4 0 55 286.356 3 ↓

Analogs

16977303
16977303

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Popular Name: 2-Phenylthieno[2,3-d]pyrimidin-4-ol 2-Phenylthieno[2,3-d]pyrimidin-4-ol

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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) 2.86 5.7 -9.97 1 3 0 46 228.276 1 ↓

Analogs

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

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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) 3.67 6.32 -9.17 1 3 0 46 307.172 1 ↓
Hi High (pH 8-9.5) 4.13 4.5 -45.69 0 3 -1 49 306.164 1 ↓

Analogs

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

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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) 2.98 5.96 -12.51 1 3 0 46 246.266 1 ↓

Analogs

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Popular Name: methyl 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) 3.25 7.18 -11.86 1 5 0 72 300.339 3 ↓

Analogs

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Popular Name: 6-ethyl-2-(4-ethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one 6-ethyl-2-(4-ethylphenyl)-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) 4.57 8.74 -9.08 1 3 0 46 284.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-ethyl-2-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one 6-ethyl-2-(4-methoxyphenyl)-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) 3.71 6.61 -10.09 1 4 0 55 286.356 3 ↓

Analogs

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Popular Name: 6-ethyl-2-(4-hydroxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one 6-ethyl-2-(4-hydroxyphenyl)-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) 3.18 4.46 -10.68 2 4 0 66 272.329 2 ↓

Analogs

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Popular Name: methyl 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) 3.83 7.95 -11.54 1 5 0 72 314.366 4 ↓

Parameters Provided:

ring.id = 146125
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 = 146125 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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