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

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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) 1.93 5.24 -20.15 2 5 0 82 300.318 3 ↓
Hi High (pH 8-9.5) 2.38 2.58 -53.5 1 5 -1 85 299.31 3 ↓

Analogs

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Popular Name: 2-[(4-propylanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(4-propylanilino)methyl]-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) 3.41 7.02 -11.67 2 4 0 58 299.399 5 ↓
Hi High (pH 8-9.5) 3.87 4.37 -47.4 1 4 -1 61 298.391 5 ↓

Analogs

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Popular Name: 2-[(3-fluoro-4-methoxy-anilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(3-fluoro-4-methoxy-anilino)m…

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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) 2.25 4.16 -15.31 2 5 0 67 305.334 4 ↓
Hi High (pH 8-9.5) 2.71 1.49 -48.64 1 5 -1 70 304.326 4 ↓

Analogs

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Popular Name: 2-[(3-isopropylanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(3-isopropylanilino)methyl]-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) 3.59 6.71 -11.77 2 4 0 58 299.399 4 ↓
Hi High (pH 8-9.5) 4.05 4.05 -47.87 1 4 -1 61 298.391 4 ↓

Analogs

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Popular Name: 2-[(4-bromoanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(4-bromoanilino)methyl]-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) 2.92 5.43 -12.72 2 4 0 58 336.214 3 ↓
Hi High (pH 8-9.5) 3.37 2.77 -45.38 1 4 -1 61 335.206 3 ↓

Analogs

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Popular Name: 2-[(3-bromoanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(3-bromoanilino)methyl]-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) 2.89 5.42 -11.83 2 4 0 58 336.214 3 ↓
Hi High (pH 8-9.5) 3.35 2.76 -46.44 1 4 -1 61 335.206 3 ↓

Analogs

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Popular Name: 2-[(3-methylanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(3-methylanilino)methyl]-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) 2.53 5.47 -12.01 2 4 0 58 271.345 3 ↓
Hi High (pH 8-9.5) 2.99 2.81 -47.96 1 4 -1 61 270.337 3 ↓

Analogs

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Popular Name: 2-[(3,4-dimethylanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(3,4-dimethylanilino)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) 2.93 6.02 -12.03 2 4 0 58 285.372 3 ↓
Hi High (pH 8-9.5) 3.39 3.37 -48.3 1 4 -1 61 284.364 3 ↓

Analogs

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Popular Name: 2-[(4-fluoroanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(4-fluoroanilino)methyl]-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) 2.27 4.87 -13.56 2 4 0 58 275.308 3 ↓
Hi High (pH 8-9.5) 2.73 2.2 -45.83 1 4 -1 61 274.3 3 ↓

Analogs

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Popular Name: 2-[(4-ethoxyanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(4-ethoxyanilino)methyl]-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) 2.54 5.02 -13.46 2 5 0 67 301.371 5 ↓
Hi High (pH 8-9.5) 3.00 2.35 -48.01 1 5 -1 70 300.363 5 ↓

Analogs

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Popular Name: 2-[(4-methoxyanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(4-methoxyanilino)methyl]-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) 2.16 4.1 -13.57 2 5 0 67 287.344 4 ↓
Hi High (pH 8-9.5) 2.62 1.43 -48.08 1 5 -1 70 286.336 4 ↓

Analogs

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Popular Name: 2-[(3-chloroanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(3-chloroanilino)methyl]-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) 2.76 5.31 -11.92 2 4 0 58 291.763 3 ↓
Hi High (pH 8-9.5) 3.22 2.66 -46.49 1 4 -1 61 290.755 3 ↓

Analogs

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Popular Name: 2-[(3-fluoroanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(3-fluoroanilino)methyl]-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) 2.25 4.87 -12.57 2 4 0 58 275.308 3 ↓
Hi High (pH 8-9.5) 2.70 2.21 -46.9 1 4 -1 61 274.3 3 ↓

Analogs

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Popular Name: 2-[(3-chloro-4-methyl-anilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(3-chloro-4-methyl-anilino)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) 3.16 5.9 -11.98 2 4 0 58 305.79 3 ↓
Hi High (pH 8-9.5) 3.62 3.24 -46.75 1 4 -1 61 304.782 3 ↓

Analogs

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Popular Name: 2-[(4-chloroanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(4-chloroanilino)methyl]-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) 2.78 5.32 -12.73 2 4 0 58 291.763 3 ↓
Hi High (pH 8-9.5) 3.24 2.66 -45.54 1 4 -1 61 290.755 3 ↓

Analogs

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Popular Name: 4-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]benzamide 4-[(4-oxo-3H-thieno[3,2-d]pyrimi…

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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) 0.92 1.61 -20.27 4 6 0 101 300.343 4 ↓
Hi High (pH 8-9.5) 1.38 -1.04 -51.43 3 6 -1 104 299.335 4 ↓

Analogs

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Popular Name: 2-[(4-isopropylanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(4-isopropylanilino)methyl]-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) 3.62 6.72 -11.64 2 4 0 58 299.399 4 ↓
Hi High (pH 8-9.5) 4.08 4.06 -47.45 1 4 -1 61 298.391 4 ↓

Analogs

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Popular Name: 2-[(4-bromo-3-methyl-anilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(4-bromo-3-methyl-anilino)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) 3.29 5.99 -12.73 2 4 0 58 350.241 3 ↓
Hi High (pH 8-9.5) 3.75 3.33 -45.77 1 4 -1 61 349.233 3 ↓

Analogs

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Popular Name: 2-[(3,5-dimethylanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(3,5-dimethylanilino)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) 2.93 6.13 -12.06 2 4 0 58 285.372 3 ↓
Hi High (pH 8-9.5) 3.39 3.47 -48.27 1 4 -1 61 284.364 3 ↓

Analogs

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Popular Name: 2-[(3-fluoro-4-methyl-anilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(3-fluoro-4-methyl-anilino)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) 2.65 5.51 -12.61 2 4 0 58 289.335 3 ↓
Hi High (pH 8-9.5) 3.10 2.86 -47.14 1 4 -1 61 288.327 3 ↓

Analogs

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Popular Name: 2-[(2-methylanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2-methylanilino)methyl]-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) 2.51 5.59 -12.01 2 4 0 58 271.345 3 ↓
Hi High (pH 8-9.5) 2.96 2.93 -47.85 1 4 -1 61 270.337 3 ↓

Analogs

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Popular Name: 2-[(2-methoxyanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2-methoxyanilino)methyl]-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) 2.11 4.21 -13.55 2 5 0 67 287.344 4 ↓
Hi High (pH 8-9.5) 2.57 1.56 -50.98 1 5 -1 70 286.336 4 ↓

Analogs

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Popular Name: 2-[(2,4-dimethylanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2,4-dimethylanilino)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) 2.93 6.26 -12.05 2 4 0 58 285.372 3 ↓
Hi High (pH 8-9.5) 3.39 3.6 -47.94 1 4 -1 61 284.364 3 ↓

Analogs

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Popular Name: 2-[(2-chloroanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2-chloroanilino)methyl]-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) 2.74 5.39 -13.07 2 4 0 58 291.763 3 ↓
Hi High (pH 8-9.5) 3.19 2.73 -48.85 1 4 -1 61 290.755 3 ↓

Analogs

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Popular Name: 2-[(3,4-dichloroanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(3,4-dichloroanilino)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) 3.39 5.77 -13.07 2 4 0 58 326.208 3 ↓
Hi High (pH 8-9.5) 3.85 3.1 -45.03 1 4 -1 61 325.2 3 ↓

Analogs

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Popular Name: 2-[(2,5-dichloroanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2,5-dichloroanilino)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) 3.39 5.9 -12.03 2 4 0 58 326.208 3 ↓
Hi High (pH 8-9.5) 3.85 3.24 -46.72 1 4 -1 61 325.2 3 ↓

Analogs

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

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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 4.72 -12.93 2 5 0 67 321.789 4 ↓
Hi High (pH 8-9.5) 3.23 2.07 -49.28 1 5 -1 70 320.781 4 ↓

Analogs

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Popular Name: 2-[(2-fluoroanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2-fluoroanilino)methyl]-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) 2.22 4.89 -13.94 2 4 0 58 275.308 3 ↓
Hi High (pH 8-9.5) 2.68 2.24 -49.97 1 4 -1 61 274.3 3 ↓

Analogs

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Popular Name: 2-[(3-chloro-2-methyl-anilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(3-chloro-2-methyl-anilino)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) 3.14 6.02 -13.04 2 4 0 58 305.79 3 ↓
Hi High (pH 8-9.5) 3.59 3.37 -46.56 1 4 -1 61 304.782 3 ↓

Analogs

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Popular Name: 2-[(2,4-dichloroanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2,4-dichloroanilino)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) 3.39 5.9 -13.62 2 4 0 58 326.208 3 ↓
Hi High (pH 8-9.5) 3.85 3.24 -46.2 1 4 -1 61 325.2 3 ↓

Analogs

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Popular Name: 2-[(2-chloro-4-methyl-anilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2-chloro-4-methyl-anilino)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) 3.16 6.05 -13.04 2 4 0 58 305.79 3 ↓
Hi High (pH 8-9.5) 3.62 3.4 -48.76 1 4 -1 61 304.782 3 ↓

Analogs

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Popular Name: 4-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]benzonitrile 4-[(4-oxo-3H-thieno[3,2-d]pyrimi…

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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) 1.86 5.21 -16.7 2 5 0 82 282.328 3 ↓
Hi High (pH 8-9.5) 2.32 2.56 -46.66 1 5 -1 85 281.32 3 ↓

Analogs

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Popular Name: 2-[(5-fluoro-2-methyl-anilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(5-fluoro-2-methyl-anilino)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) 2.65 5.66 -12.46 2 4 0 58 289.335 3 ↓
Hi High (pH 8-9.5) 3.10 3 -47.09 1 4 -1 61 288.327 3 ↓

Analogs

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Popular Name: 2-[(2-chloro-4-fluoro-anilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2-chloro-4-fluoro-anilino)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) 2.88 5.46 -14.27 2 4 0 58 309.753 3 ↓
Hi High (pH 8-9.5) 3.33 2.8 -46.43 1 4 -1 61 308.745 3 ↓

Analogs

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Popular Name: 2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]benzonitrile 2-[(4-oxo-3H-thieno[3,2-d]pyrimi…

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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) 1.81 5.22 -16.85 2 5 0 82 282.328 3 ↓
Hi High (pH 8-9.5) 2.27 2.55 -52.75 1 5 -1 85 281.32 3 ↓

Analogs

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Popular Name: 2-[(2-methoxy-5-methyl-anilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2-methoxy-5-methyl-anilino)m…

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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) 2.54 4.88 -13.47 2 5 0 67 301.371 4 ↓
Hi High (pH 8-9.5) 3.00 2.22 -51.15 1 5 -1 70 300.363 4 ↓

Analogs

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Popular Name: 3-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methylamino]benzonitrile 3-[(4-oxo-3H-thieno[3,2-d]pyrimi…

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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) 1.84 5.2 -16.37 2 5 0 82 282.328 3 ↓
Hi High (pH 8-9.5) 2.29 2.53 -48.11 1 5 -1 85 281.32 3 ↓

Analogs

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Popular Name: 2-[(5-chloro-2-methyl-anilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(5-chloro-2-methyl-anilino)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) 3.16 6.1 -11.93 2 4 0 58 305.79 3 ↓
Hi High (pH 8-9.5) 3.62 3.45 -46.69 1 4 -1 61 304.782 3 ↓

Analogs

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Popular Name: 2-[(2-ethylanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2-ethylanilino)methyl]-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) 2.97 6.34 -11.86 2 4 0 58 285.372 4 ↓
Hi High (pH 8-9.5) 3.43 3.68 -47.93 1 4 -1 61 284.364 4 ↓

Analogs

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Popular Name: 2-[(4-bromo-2-methyl-anilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(4-bromo-2-methyl-anilino)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) 3.29 6.21 -12.74 2 4 0 58 350.241 3 ↓
Hi High (pH 8-9.5) 3.75 3.55 -45.54 1 4 -1 61 349.233 3 ↓

Analogs

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Popular Name: 2-[(4-methylsulfanylanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(4-methylsulfanylanilino)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) 2.54 5.83 -13.24 2 4 0 58 303.412 4 ↓
Hi High (pH 8-9.5) 3.00 3.16 -47.38 1 4 -1 61 302.404 4 ↓

Analogs

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Popular Name: 2-[(2-iodoanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2-iodoanilino)methyl]-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) 3.14 6 -12.92 2 4 0 58 383.214 3 ↓
Hi High (pH 8-9.5) 3.60 3.34 -48.4 1 4 -1 61 382.206 3 ↓

Analogs

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Popular Name: 2-[(2-bromoanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2-bromoanilino)methyl]-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) 2.87 5.52 -13.11 2 4 0 58 336.214 3 ↓
Hi High (pH 8-9.5) 3.32 2.85 -48.73 1 4 -1 61 335.206 3 ↓

Analogs

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Popular Name: 2-[(2-isopropylanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2-isopropylanilino)methyl]-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) 3.10 6.85 -11.71 2 4 0 58 299.399 4 ↓
Hi High (pH 8-9.5) 3.55 4.2 -48.27 1 4 -1 61 298.391 4 ↓

Analogs

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Popular Name: 2-[(2,3,4-trifluoroanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2,3,4-trifluoroanilino)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) 2.45 5.01 -18.63 2 4 0 58 311.288 3 ↓
Hi High (pH 8-9.5) 2.91 2.34 -48.44 1 4 -1 61 310.28 3 ↓

Analogs

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Popular Name: 2-[(2,5-difluoroanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2,5-difluoroanilino)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) 2.36 4.96 -12.87 2 4 0 58 293.298 3 ↓
Hi High (pH 8-9.5) 2.82 2.31 -47.64 1 4 -1 61 292.29 3 ↓

Analogs

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Popular Name: 2-[(2,3-dichloroanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2,3-dichloroanilino)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) 3.37 5.85 -14.78 2 4 0 58 326.208 3 ↓
Hi High (pH 8-9.5) 3.82 3.2 -48.39 1 4 -1 61 325.2 3 ↓

Analogs

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Popular Name: 2-[(2,6-difluoroanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2,6-difluoroanilino)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) 2.34 4.85 -11.7 2 4 0 58 293.298 3 ↓
Hi High (pH 8-9.5) 2.79 2.21 -51.58 1 4 -1 61 292.29 3 ↓

Analogs

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Popular Name: 2-[(3,4-difluoroanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(3,4-difluoroanilino)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) 2.36 4.92 -14.84 2 4 0 58 293.298 3 ↓
Hi High (pH 8-9.5) 2.82 2.26 -45.83 1 4 -1 61 292.29 3 ↓

Analogs

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Popular Name: 2-[(2-bromo-4-methyl-anilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2-bromo-4-methyl-anilino)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) 3.29 6.19 -13.05 2 4 0 58 350.241 3 ↓
Hi High (pH 8-9.5) 3.75 3.52 -48.59 1 4 -1 61 349.233 3 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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