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Analogs

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Popular Name: 3-(2,4-difluorophenyl)-1-ethyl-7H-purine-2,6-dione 3-(2,4-difluorophenyl)-1-ethyl-7…

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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 7.83 -13.07 1 6 0 73 292.245 2 ↓

Analogs

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Popular Name: 3-(2,4-difluorophenyl)-1-isopropyl-7H-purine-2,6-dione 3-(2,4-difluorophenyl)-1-isoprop…

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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) 2.48 8.41 -12.81 1 6 0 73 306.272 2 ↓

Analogs

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Popular Name: 3-(2,4-difluorophenyl)-1-isopentyl-7H-purine-2,6-dione 3-(2,4-difluorophenyl)-1-isopent…

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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 9.88 -12.64 1 6 0 73 334.326 4 ↓

Analogs

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Popular Name: 3-(2,4-difluorophenyl)-1-isobutyl-7H-purine-2,6-dione 3-(2,4-difluorophenyl)-1-isobuty…

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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 9.12 -12.49 1 6 0 73 320.299 3 ↓

Analogs

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Popular Name: 1-ethyl-3-(4-isopropylphenyl)-7H-purine-2,6-dione 1-ethyl-3-(4-isopropylphenyl)-7H…

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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 9.54 -12.55 1 6 0 73 298.346 3 ↓

Analogs

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Popular Name: 1-isopentyl-3-(4-isopropylphenyl)-7H-purine-2,6-dione 1-isopentyl-3-(4-isopropylphenyl…

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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) 4.43 11.59 -12.12 1 6 0 73 340.427 5 ↓

Analogs

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Popular Name: 1-ethyl-3-(o-tolyl)-7H-purine-2,6-dione 1-ethyl-3-(o-tolyl)-7H-purine-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) 2.26 8.48 -13.41 1 6 0 73 270.292 2 ↓

Analogs

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Popular Name: 1-isopentyl-3-(o-tolyl)-7H-purine-2,6-dione 1-isopentyl-3-(o-tolyl)-7H-purin…

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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) 3.53 10.54 -12.91 1 6 0 73 312.373 4 ↓

Analogs

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Popular Name: 1-isobutyl-3-(o-tolyl)-7H-purine-2,6-dione 1-isobutyl-3-(o-tolyl)-7H-purine…

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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) 3.00 9.78 -12.81 1 6 0 73 298.346 3 ↓

Analogs

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Popular Name: 1-ethyl-3-phenyl-7H-purine-2,6-dione 1-ethyl-3-phenyl-7H-purine-2,6-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) 1.65 7.62 -13.27 1 6 0 73 256.265 2 ↓

Analogs

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Popular Name: 1-isopentyl-3-phenyl-7H-purine-2,6-dione 1-isopentyl-3-phenyl-7H-purine-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) 2.92 9.67 -12.87 1 6 0 73 298.346 4 ↓

Analogs

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Popular Name: 1-isobutyl-3-phenyl-7H-purine-2,6-dione 1-isobutyl-3-phenyl-7H-purine-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) 2.39 8.67 -12.7 1 6 0 73 284.319 3 ↓

Analogs

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Popular Name: 1-allyl-3-(3-chlorophenyl)-7H-purine-2,6-dione 1-allyl-3-(3-chlorophenyl)-7H-pu…

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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 8.69 -12.64 1 6 0 73 302.721 3 ↓

Analogs

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Popular Name: 3-(3-chlorophenyl)-1-isopropyl-7H-purine-2,6-dione 3-(3-chlorophenyl)-1-isopropyl-7…

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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 8.72 -12.33 1 6 0 73 304.737 2 ↓

Analogs

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Popular Name: 3-(3-chlorophenyl)-1-isopentyl-7H-purine-2,6-dione 3-(3-chlorophenyl)-1-isopentyl-7…

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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) 3.79 10.19 -12.3 1 6 0 73 332.791 4 ↓

Analogs

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Popular Name: 3-(3-chlorophenyl)-1-isobutyl-7H-purine-2,6-dione 3-(3-chlorophenyl)-1-isobutyl-7H…

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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) 3.26 9.19 -12.15 1 6 0 73 318.764 3 ↓

Analogs

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Popular Name: 1-allyl-3-(p-tolyl)-7H-purine-2,6-dione 1-allyl-3-(p-tolyl)-7H-purine-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) 2.36 8.85 -12.95 1 6 0 73 282.303 3 ↓

Analogs

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Popular Name: 1-ethyl-3-(p-tolyl)-7H-purine-2,6-dione 1-ethyl-3-(p-tolyl)-7H-purine-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) 2.09 8.3 -13.09 1 6 0 73 270.292 2 ↓

Analogs

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Popular Name: 1-isopropyl-3-(p-tolyl)-7H-purine-2,6-dione 1-isopropyl-3-(p-tolyl)-7H-purin…

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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) 2.46 8.88 -12.78 1 6 0 73 284.319 2 ↓

Analogs

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Popular Name: 1-isopentyl-3-(p-tolyl)-7H-purine-2,6-dione 1-isopentyl-3-(p-tolyl)-7H-purin…

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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 10.35 -12.65 1 6 0 73 312.373 4 ↓

Analogs

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Popular Name: 1-isobutyl-3-(p-tolyl)-7H-purine-2,6-dione 1-isobutyl-3-(p-tolyl)-7H-purine…

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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 9.59 -12.6 1 6 0 73 298.346 3 ↓

Analogs

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Popular Name: 1-ethyl-3-(m-tolyl)-7H-purine-2,6-dione 1-ethyl-3-(m-tolyl)-7H-purine-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) 2.28 8.3 -13.31 1 6 0 73 270.292 2 ↓

Analogs

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Popular Name: 1-isopropyl-3-(m-tolyl)-7H-purine-2,6-dione 1-isopropyl-3-(m-tolyl)-7H-purin…

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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) 2.64 8.88 -13.02 1 6 0 73 284.319 2 ↓

Analogs

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Popular Name: 1-isopentyl-3-(m-tolyl)-7H-purine-2,6-dione 1-isopentyl-3-(m-tolyl)-7H-purin…

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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 10.35 -12.89 1 6 0 73 312.373 4 ↓

Analogs

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Popular Name: 1-ethyl-3-(3-fluorophenyl)-7H-purine-2,6-dione 1-ethyl-3-(3-fluorophenyl)-7H-pu…

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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) 2.00 7.69 -13.23 1 6 0 73 274.255 2 ↓

Analogs

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Popular Name: 3-(3-fluorophenyl)-1-isopropyl-7H-purine-2,6-dione 3-(3-fluorophenyl)-1-isopropyl-7…

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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 8.27 -12.88 1 6 0 73 288.282 2 ↓

Analogs

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Popular Name: 3-(3-fluorophenyl)-1-isopentyl-7H-purine-2,6-dione 3-(3-fluorophenyl)-1-isopentyl-7…

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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 9.74 -12.79 1 6 0 73 316.336 4 ↓

Analogs

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Popular Name: 3-(3-fluorophenyl)-1-isobutyl-7H-purine-2,6-dione 3-(3-fluorophenyl)-1-isobutyl-7H…

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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 8.99 -12.69 1 6 0 73 302.309 3 ↓

Analogs

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Popular Name: 3-(2-chlorophenyl)-1-ethyl-7H-purine-2,6-dione 3-(2-chlorophenyl)-1-ethyl-7H-pu…

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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) 2.49 8.39 -14.12 1 6 0 73 290.71 2 ↓

Analogs

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Popular Name: 3-(2-chlorophenyl)-1-isopentyl-7H-purine-2,6-dione 3-(2-chlorophenyl)-1-isopentyl-7…

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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 10.44 -13.69 1 6 0 73 332.791 4 ↓

Analogs

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Popular Name: 3-(2-chlorophenyl)-1-isobutyl-7H-purine-2,6-dione 3-(2-chlorophenyl)-1-isobutyl-7H…

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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) 3.23 9.68 -13.58 1 6 0 73 318.764 3 ↓

Analogs

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Popular Name: 1-ethyl-3-(4-fluorophenyl)-7H-purine-2,6-dione 1-ethyl-3-(4-fluorophenyl)-7H-pu…

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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 7.69 -11.88 1 6 0 73 274.255 2 ↓

Analogs

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Popular Name: 3-(4-fluorophenyl)-1-isopropyl-7H-purine-2,6-dione 3-(4-fluorophenyl)-1-isopropyl-7…

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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) 2.17 8.27 -11.47 1 6 0 73 288.282 2 ↓

Analogs

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Popular Name: 3-(4-fluorophenyl)-1-isobutyl-7H-purine-2,6-dione 3-(4-fluorophenyl)-1-isobutyl-7H…

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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 8.98 -11.27 1 6 0 73 302.309 3 ↓

Analogs

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Popular Name: 1-allyl-3-(4-chlorophenyl)-7H-purine-2,6-dione 1-allyl-3-(4-chlorophenyl)-7H-pu…

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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 8.69 -11.55 1 6 0 73 302.721 3 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-1-isopentyl-7H-purine-2,6-dione 3-(4-chlorophenyl)-1-isopentyl-7…

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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) 3.60 10.19 -11.19 1 6 0 73 332.791 4 ↓

Analogs

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Popular Name: 3-(3,4-difluorophenyl)-1-isopropyl-7H-purine-2,6-dione 3-(3,4-difluorophenyl)-1-isoprop…

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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) 2.48 8.32 -11.99 1 6 0 73 306.272 2 ↓

Analogs

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Popular Name: 3-(3,4-difluorophenyl)-1-isobutyl-7H-purine-2,6-dione 3-(3,4-difluorophenyl)-1-isobuty…

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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 9.03 -11.84 1 6 0 73 320.299 3 ↓

Analogs

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Popular Name: 3-(2-chlorophenyl)-1-isobutyl-7-propyl-purine-2,6-dione 3-(2-chlorophenyl)-1-isobutyl-7-…

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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 12.78 -13.46 0 6 0 62 360.845 5 ↓

Analogs

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Popular Name: 3-(2-chlorophenyl)-1-isobutyl-7-isopropyl-purine-2,6-dione 3-(2-chlorophenyl)-1-isobutyl-7-…

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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) 4.04 12.64 -12.8 0 6 0 62 360.845 4 ↓

Analogs

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Popular Name: 1-allyl-3-(3-chlorophenyl)-7-ethyl-purine-2,6-dione 1-allyl-3-(3-chlorophenyl)-7-eth…

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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) 3.22 11.28 -12.49 0 6 0 62 330.775 4 ↓

Analogs

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Popular Name: 1-allyl-3-(3-chlorophenyl)-7-propyl-purine-2,6-dione 1-allyl-3-(3-chlorophenyl)-7-pro…

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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) 3.73 12.04 -12.27 0 6 0 62 344.802 5 ↓

Analogs

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Popular Name: 3-(3-chlorophenyl)-1-ethyl-7-propyl-purine-2,6-dione 3-(3-chlorophenyl)-1-ethyl-7-pro…

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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) 3.46 11.48 -12.37 0 6 0 62 332.791 4 ↓

Analogs

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Popular Name: 3-(3-chlorophenyl)-1-ethyl-7-isopropyl-purine-2,6-dione 3-(3-chlorophenyl)-1-ethyl-7-iso…

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Activity (Go SEA)

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) 3.32 11.11 -11.75 0 6 0 62 332.791 3 ↓

Analogs

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Popular Name: 7-allyl-3-(3-chlorophenyl)-1-isopropyl-purine-2,6-dione 7-allyl-3-(3-chlorophenyl)-1-iso…

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Activity (Go SEA)

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 11.76 -12.48 0 6 0 62 344.802 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-allyl-1-ethyl-3-(o-tolyl)purine-2,6-dione 7-allyl-1-ethyl-3-(o-tolyl)purin…

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Activity (Go SEA)

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 11.61 -13.66 0 6 0 62 310.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-difluorophenyl)-1,7-diisopropyl-purine-2,6-dione 3-(3,4-difluorophenyl)-1,7-diiso…

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Activity (Go SEA)

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) 3.28 11.19 -10.9 0 6 0 62 348.353 3 ↓

Parameters Provided:

ring.id = 555338
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 = 555338 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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