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Analogs

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Popular Name: 3-butyl-8-[(N-ethylanilino)methyl]-7-methyl-purine-2,6-dione 3-butyl-8-[(N-ethylanilino)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) 2.47 9.43 -11.36 1 7 0 76 355.442 7 ↓

Analogs

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Popular Name: 3-butyl-7-ethyl-8-[(N-ethylanilino)methyl]purine-2,6-dione 3-butyl-7-ethyl-8-[(N-ethylanili…

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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) 2.84 10.44 -10.35 1 7 0 76 369.469 8 ↓

Analogs

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Popular Name: 3-butyl-8-[(4-chloro-2-methyl-anilino)methyl]-7-methyl-purine-2,6-dione 3-butyl-8-[(4-chloro-2-methyl-an…

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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) 2.90 8.12 -10.01 2 7 0 85 375.86 6 ↓

Analogs

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Popular Name: 3-butyl-8-[(2-isopropylanilino)methyl]-7-methyl-purine-2,6-dione 3-butyl-8-[(2-isopropylanilino)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) 2.84 8.86 -8.61 2 7 0 85 369.469 7 ↓

Analogs

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Popular Name: 3-butyl-8-[(N-ethyl-2-methyl-anilino)methyl]-7-methyl-purine-2,6-dione 3-butyl-8-[(N-ethyl-2-methyl-ani…

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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 10.49 -8.1 1 7 0 76 369.469 7 ↓
Lo Low (pH 4.5-6) 2.87 10.36 -46.44 2 7 1 77 370.477 7 ↓

Analogs

45616696
45616696

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Popular Name: 3-butyl-8-[(2,6-dimethylanilino)methyl]-7-ethyl-purine-2,6-dione 3-butyl-8-[(2,6-dimethylanilino)…

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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) 2.09 8.92 -8.96 2 7 0 85 369.469 7 ↓

Analogs

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Popular Name: 3-butyl-7-ethyl-8-[(2-fluoro-4-methyl-anilino)methyl]purine-2,6-dione 3-butyl-7-ethyl-8-[(2-fluoro-4-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) 2.76 8.49 -10.39 2 7 0 85 373.432 7 ↓

Analogs

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Popular Name: 8-[(N-ethyl-3,5-dimethyl-anilino)methyl]-3,7-dimethyl-purine-2,6-dione 8-[(N-ethyl-3,5-dimethyl-anilino…

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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 8.39 -11.36 1 7 0 76 341.415 4 ↓

Analogs

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Popular Name: 8-[(N-ethyl-2,4-dimethyl-anilino)methyl]-3,7-dimethyl-purine-2,6-dione 8-[(N-ethyl-2,4-dimethyl-anilino…

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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 8.53 -8.15 1 7 0 76 341.415 4 ↓
Lo Low (pH 4.5-6) 1.86 8.61 -46.38 2 7 1 77 342.423 4 ↓

Analogs

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Popular Name: 3-butyl-8-[(3,4-dichloroanilino)methyl]-7-methyl-purine-2,6-dione 3-butyl-8-[(3,4-dichloroanilino)…

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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) 3.13 7.8 -11.64 2 7 0 85 396.278 6 ↓

Analogs

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Popular Name: 3-butyl-8-[(2,5-dichloroanilino)methyl]-7-methyl-purine-2,6-dione 3-butyl-8-[(2,5-dichloroanilino)…

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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) 3.13 7.91 -9.26 2 7 0 85 396.278 6 ↓

Analogs

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Popular Name: 3-butyl-7-methyl-8-[[3-(trifluoromethyl)anilino]methyl]purine-2,6-dione 3-butyl-7-methyl-8-[[3-(trifluor…

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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 7.83 -11.5 2 7 0 85 395.385 7 ↓

Analogs

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Popular Name: N-[3-[(3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methylamino]phenyl]acetamide N-[3-[(3-butyl-7-ethyl-2,6-dioxo…

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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) 1.42 6.61 -15.42 3 9 0 114 398.467 8 ↓

Analogs

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Popular Name: 3-butyl-8-[(3-chloro-2-methyl-anilino)methyl]-7-methyl-purine-2,6-dione 3-butyl-8-[(3-chloro-2-methyl-an…

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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 8.03 -10.25 2 7 0 85 375.86 6 ↓

Analogs

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Popular Name: 3-butyl-8-[(2,4-dichloroanilino)methyl]-7-methyl-purine-2,6-dione 3-butyl-8-[(2,4-dichloroanilino)…

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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) 3.13 7.91 -10.72 2 7 0 85 396.278 6 ↓

Analogs

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Popular Name: 3-butyl-8-[(3,5-dichloroanilino)methyl]-7-methyl-purine-2,6-dione 3-butyl-8-[(3,5-dichloroanilino)…

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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) 3.13 7.83 -9.71 2 7 0 85 396.278 6 ↓

Analogs

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Popular Name: 3-butyl-8-[(2-chloro-4-methyl-anilino)methyl]-7-methyl-purine-2,6-dione 3-butyl-8-[(2-chloro-4-methyl-an…

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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) 2.90 8.07 -9.98 2 7 0 85 375.86 6 ↓

Analogs

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Popular Name: 3-butyl-7-methyl-8-[[4-(trifluoromethyl)anilino]methyl]purine-2,6-dione 3-butyl-7-methyl-8-[[4-(trifluor…

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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 7.82 -11.22 2 7 0 85 395.385 7 ↓

Analogs

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Popular Name: 3-butyl-8-[(3-chloro-4-fluoro-anilino)methyl]-7-methyl-purine-2,6-dione 3-butyl-8-[(3-chloro-4-fluoro-an…

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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 7.38 -12.52 2 7 0 85 379.823 6 ↓

Analogs

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Popular Name: 3-butyl-8-[(2-chloro-4-fluoro-anilino)methyl]-7-methyl-purine-2,6-dione 3-butyl-8-[(2-chloro-4-fluoro-an…

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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 7.47 -11.39 2 7 0 85 379.823 6 ↓

Analogs

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Popular Name: 3-butyl-8-[(2-ethoxyanilino)methyl]-7-methyl-purine-2,6-dione 3-butyl-8-[(2-ethoxyanilino)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) 2.23 7.15 -10.05 2 8 0 94 371.441 8 ↓

Analogs

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Popular Name: 3-butyl-8-[(5-chloro-2-methyl-anilino)methyl]-7-methyl-purine-2,6-dione 3-butyl-8-[(5-chloro-2-methyl-an…

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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) 2.90 8.11 -9.07 2 7 0 85 375.86 6 ↓

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