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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(trifluoromethyl)phenyl]-9H-purin-6-amine N-[3-(trifluoromethyl)phenyl]-9H…

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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 8.02 -10.42 2 5 0 66 279.225 3 ↓

Analogs

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Popular Name: N'-[4-(trifluoromethoxy)phenyl]-9H-purine-2,6-diamine N'-[4-(trifluoromethoxy)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) 3.52 -2.14 -10.23 4 7 0 101 310.239 4 ↓

Analogs

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Popular Name: N'-(3-bromophenyl)-9H-purine-2,6-diamine N'-(3-bromophenyl)-9H-purine-2,6…

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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) 3.33 -4.42 -10.69 4 6 0 92 305.139 2 ↓

Analogs

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Popular Name: N'-(4-bromophenyl)-9H-purine-2,6-diamine N'-(4-bromophenyl)-9H-purine-2,6…

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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) 3.36 -4.42 -9.87 4 6 0 92 305.139 2 ↓

Analogs

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Popular Name: 2-chloro-N-(3,4-dimethoxyphenyl)-9H-purin-6-amine 2-chloro-N-(3,4-dimethoxyphenyl)…

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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 -1.84 -13.5 2 7 0 84 305.725 4 ↓

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-8-methyl-7H-purin-6-amine N-(2,5-dimethoxyphenyl)-8-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) 2.87 5.92 -12.27 2 7 0 85 285.307 4 ↓

Analogs

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Popular Name: N-methyl-4-[(8-methyl-7H-purin-6-yl)amino]benzenesulfonamide N-methyl-4-[(8-methyl-7H-purin-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) 1.90 3.25 -15.32 3 8 0 113 318.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N4,N4-dimethyl-N1-(8-methyl-7H-purin-6-yl)benzene-1,4-diamine N4,N4-dimethyl-N1-(8-methyl-7H-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) 2.93 7.48 -10.07 2 6 0 70 268.324 3 ↓
Lo Low (pH 4.5-6) 2.93 8.24 -43.88 3 6 0 71 269.332 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(2-amino-8,9-dimethyl-purin-6-yl)amino]phenyl]methanesulfonamide [3-[(2-amino-8,9-dimethyl-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) 1.43 3.65 -21.6 5 9 0 142 347.404 4 ↓
Lo Low (pH 4.5-6) 1.43 3.83 -37.67 6 9 1 143 348.412 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-amino-8,9-dimethyl-purin-6-yl)amino]-N-methyl-benzenesulfonamide 4-[(2-amino-8,9-dimethyl-purin-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) 1.77 4.16 -16.68 4 9 0 128 347.404 4 ↓
Lo Low (pH 4.5-6) 1.77 4.35 -34.04 5 9 1 129 348.412 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-amino-8,9-dimethyl-purin-6-yl)amino]-N-methyl-benzamide 3-[(2-amino-8,9-dimethyl-purin-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) 1.87 6.27 -17.53 4 8 0 111 311.349 3 ↓
Lo Low (pH 4.5-6) 1.87 6.46 -34.66 5 8 1 112 312.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-amino-8,9-dimethyl-purin-6-yl)amino]benzamide 3-[(2-amino-8,9-dimethyl-purin-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) 1.50 4.77 -17.38 5 8 0 125 297.322 3 ↓
Lo Low (pH 4.5-6) 1.50 4.96 -34.55 6 8 1 126 298.33 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-amino-8,9-dimethyl-purin-6-yl)amino]-4-methyl-benzamide 3-[(2-amino-8,9-dimethyl-purin-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) 1.90 5.62 -18.42 5 8 0 125 311.349 3 ↓
Lo Low (pH 4.5-6) 1.90 5.46 -32.62 6 8 1 126 312.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N6-(4-methoxyphenyl)-8,9-dimethyl-purine-2,6-diamine N6-(4-methoxyphenyl)-8,9-dimethy…

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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 7.28 -11.83 3 7 0 91 284.323 3 ↓
Lo Low (pH 4.5-6) 2.76 7.46 -26.31 4 7 1 92 285.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(2-amino-8,9-dimethyl-purin-6-yl)amino]phenyl]ethanone 1-[4-[(2-amino-8,9-dimethyl-puri…

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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) 2.60 8.37 -15.12 3 7 0 99 296.334 3 ↓
Lo Low (pH 4.5-6) 2.60 8.6 -30.83 4 7 1 100 297.342 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N6-(2,5-dimethoxyphenyl)-8,9-dimethyl-purine-2,6-diamine N6-(2,5-dimethoxyphenyl)-8,9-dim…

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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 6.81 -13.99 3 8 0 100 314.349 4 ↓
Lo Low (pH 4.5-6) 2.74 6.66 -25.19 4 8 1 101 315.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-amino-8,9-dimethyl-purin-6-yl)amino]benzonitrile 4-[(2-amino-8,9-dimethyl-purin-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) 2.46 8.37 -12.4 3 7 0 105 279.307 2 ↓
Lo Low (pH 4.5-6) 2.46 8.58 -33.48 4 7 1 107 280.315 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N6-(3-methoxyphenyl)-8,9-dimethyl-purine-2,6-diamine N6-(3-methoxyphenyl)-8,9-dimethy…

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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) 2.73 7.29 -12.08 3 7 0 91 284.323 3 ↓
Lo Low (pH 4.5-6) 2.73 7.47 -26.89 4 7 1 92 285.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N6-(2-methoxy-5-methyl-phenyl)-8,9-dimethyl-purine-2,6-diamine N6-(2-methoxy-5-methyl-phenyl)-8…

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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 8.14 -12.86 3 7 0 91 298.35 3 ↓
Lo Low (pH 4.5-6) 3.14 7.97 -24.04 4 7 1 92 299.358 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N6-(2,4-dimethoxyphenyl)-8,9-dimethyl-purine-2,6-diamine N6-(2,4-dimethoxyphenyl)-8,9-dim…

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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 6.85 -13.03 3 8 0 100 314.349 4 ↓
Lo Low (pH 4.5-6) 2.74 6.66 -25.02 4 8 1 101 315.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N6-(3-chloro-4-methoxy-phenyl)-8,9-dimethyl-purine-2,6-diamine N6-(3-chloro-4-methoxy-phenyl)-8…

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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 7.84 -11.66 3 7 0 91 318.768 3 ↓
Lo Low (pH 4.5-6) 3.37 8.02 -29.94 4 7 1 92 319.776 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N6-(5-chloro-2-methoxy-phenyl)-8,9-dimethyl-purine-2,6-diamine N6-(5-chloro-2-methoxy-phenyl)-8…

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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 8.07 -11.91 3 7 0 91 318.768 3 ↓
Lo Low (pH 4.5-6) 3.37 7.88 -25.51 4 7 1 92 319.776 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N6-(2-ethoxyphenyl)-8,9-dimethyl-purine-2,6-diamine N6-(2-ethoxyphenyl)-8,9-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) 3.09 8.4 -12.59 3 7 0 91 298.35 4 ↓
Lo Low (pH 4.5-6) 3.09 8.22 -24.1 4 7 1 92 299.358 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N6-(4-methoxy-2-methyl-phenyl)-8,9-dimethyl-purine-2,6-diamine N6-(4-methoxy-2-methyl-phenyl)-8…

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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 8.14 -11.89 3 7 0 91 298.35 3 ↓
Lo Low (pH 4.5-6) 3.14 7.97 -25.51 4 7 1 92 299.358 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[(2-amino-8,9-dimethyl-purin-6-yl)amino]phenyl]ethanone 1-[3-[(2-amino-8,9-dimethyl-puri…

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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) 2.58 8.37 -15.73 3 7 0 99 296.334 3 ↓
Lo Low (pH 4.5-6) 2.58 8.59 -32.44 4 7 1 100 297.342 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-amino-8,9-dimethyl-purin-6-yl)amino]benzonitrile 3-[(2-amino-8,9-dimethyl-purin-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) 2.43 8.37 -13.56 3 7 0 105 279.307 2 ↓
Lo Low (pH 4.5-6) 2.43 8.57 -33.97 4 7 1 107 280.315 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethoxyphenyl)-8-methyl-7H-purin-6-amine N-(3,5-dimethoxyphenyl)-8-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) 2.87 5.67 -11.76 2 7 0 85 285.307 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-methyl-N-(o-tolyl)-7H-purin-6-amine 8-methyl-N-(o-tolyl)-7H-purin-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) 3.23 8.02 -9.47 2 5 0 66 239.282 2 ↓

Analogs

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Popular Name: N-(2-bromo-4-isopropyl-phenyl)-9-[(1R)-1-ethylpentyl]-2-methyl-purin-6-amine N-(2-bromo-4-isopropyl-phenyl)-9…

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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) 7.96 15.93 -9.09 1 5 0 56 444.421 8 ↓
Lo Low (pH 4.5-6) 7.96 15.54 -23.77 2 5 1 57 445.429 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromo-4-isopropyl-phenyl)-9-[(1S)-1-ethylpentyl]-2-methyl-purin-6-amine N-(2-bromo-4-isopropyl-phenyl)-9…

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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) 7.96 16.2 -9.57 1 5 0 56 444.421 8 ↓
Lo Low (pH 4.5-6) 7.96 15.77 -23.62 2 5 1 57 445.429 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-bromo-4-(trifluoromethyl)phenyl]-9-[(1S)-1-(methoxymethyl)propyl]-2-methyl-purin-6-amine N-[2-bromo-4-(trifluoromethyl)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) 5.38 11.98 -8.71 1 6 0 65 458.282 7 ↓
Lo Low (pH 4.5-6) 5.38 11.61 -27.74 2 6 1 66 459.29 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-bromo-4-(trifluoromethyl)phenyl]-9-[(1R)-1-(methoxymethyl)propyl]-2-methyl-purin-6-amine N-[2-bromo-4-(trifluoromethyl)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) 5.38 11.93 -8.55 1 6 0 65 458.282 7 ↓
Lo Low (pH 4.5-6) 5.38 11.54 -28.32 2 6 1 66 459.29 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-chloro-9-isopropyl-purin-6-yl)amino]benzoic 4-[(2-chloro-9-isopropyl-purin-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) 4.46 10.41 -55.16 1 7 -1 96 330.755 4 ↓

Analogs

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Popular Name: 3-[[6-[(3-chlorophenyl)amino]-9-isopropyl-purin-2-yl]-(2-hydroxyethyl)amino]propan-1-ol 3-[[6-[(3-chlorophenyl)amino]-9-…

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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) 4.17 9.17 -12.66 3 8 0 99 404.902 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[6-[(3-chlorophenyl)amino]-9-isopropyl-purin-2-yl]amino]propan-1-ol 3-[[6-[(3-chlorophenyl)amino]-9-…

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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) 4.44 9.34 -10.89 3 7 0 88 360.849 7 ↓

Analogs

38442299
38442299

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Popular Name: (2R)-2-[[6-[(3-chlorophenyl)amino]-9-isopropyl-purin-2-yl]amino]butan-1-ol (2R)-2-[[6-[(3-chlorophenyl)amin…

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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) 5.04 10.22 -9.69 3 7 0 88 374.876 7 ↓

Analogs

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Popular Name: (2R)-2-[[6-[(3-chlorophenyl)amino]-9-isopropyl-purin-2-yl]amino]-4-methyl-pentan-1-ol (2R)-2-[[6-[(3-chlorophenyl)amin…

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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) 5.81 11.64 -9.58 3 7 0 88 402.93 8 ↓

Analogs

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Popular Name: (2R)-2-[[6-[(3-chlorophenyl)-methyl-amino]-9-isopropyl-purin-2-yl]amino]-4-methyl-pentan-1-ol (2R)-2-[[6-[(3-chlorophenyl)-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) 5.62 13.3 -10.2 2 7 0 79 416.957 8 ↓
Lo Low (pH 4.5-6) 5.62 12.31 -26.14 3 7 1 80 417.965 8 ↓
Lo Low (pH 4.5-6) 5.62 13.66 -26.43 3 7 1 80 417.965 8 ↓

Analogs

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Popular Name: 2-[[6-[(3-chlorophenyl)-methyl-amino]-9-isopropyl-purin-2-yl]-(2-hydroxyethyl)amino]ethanol 2-[[6-[(3-chlorophenyl)-methyl-a…

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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 10.21 -11.81 2 8 0 91 404.902 8 ↓
Lo Low (pH 4.5-6) 3.71 9.17 -26.24 3 8 1 92 405.91 8 ↓

Analogs

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Popular Name: N-[3-(2-aminoethoxy)phenyl]-7H-purin-6-amine N-[3-(2-aminoethoxy)phenyl]-7H-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) 1.58 4.91 -50.17 5 7 1 103 271.304 5 ↓
Hi High (pH 8-9.5) 1.58 4.47 -13.28 4 7 0 102 270.296 5 ↓

Analogs

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Popular Name: 3-fluoro-4-(7H-purin-6-ylamino)benzoic 3-fluoro-4-(7H-purin-6-ylamino)b…

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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) 2.75 8.01 -51.85 2 7 -1 107 272.219 3 ↓

Analogs

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Popular Name: N-phenyl-N-(7H-purin-6-yl)propane-1,3-diamine N-phenyl-N-(7H-purin-6-yl)propan…

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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) 1.63 6.47 -51.65 4 6 1 85 269.332 5 ↓

Analogs

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Popular Name: N-(m-tolyl)-N-(7H-purin-6-yl)propane-1,3-diamine N-(m-tolyl)-N-(7H-purin-6-yl)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) 2.05 7.14 -51.58 4 6 1 85 283.359 5 ↓

Analogs

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Popular Name: N-(o-tolyl)-N-(7H-purin-6-yl)propane-1,3-diamine N-(o-tolyl)-N-(7H-purin-6-yl)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) 2.03 8.28 -49.27 4 6 1 85 283.359 5 ↓

Analogs

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Popular Name: N-(4-fluorophenyl)-N-(7H-purin-6-yl)propane-1,3-diamine N-(4-fluorophenyl)-N-(7H-purin-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) 1.79 6.54 -53.64 4 6 1 85 287.322 5 ↓

Analogs

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Popular Name: N-(3-fluorophenyl)-N-(7H-purin-6-yl)propane-1,3-diamine N-(3-fluorophenyl)-N-(7H-purin-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) 1.77 6.54 -49.99 4 6 1 85 287.322 5 ↓

Analogs

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Popular Name: N-(2-fluorophenyl)-N-(7H-purin-6-yl)propane-1,3-diamine N-(2-fluorophenyl)-N-(7H-purin-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) 1.74 7.73 -47.28 4 6 1 85 287.322 5 ↓

Analogs

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Popular Name: 2-chloro-9-isopropyl-N-phenyl-purin-6-amine 2-chloro-9-isopropyl-N-phenyl-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) 4.55 9.89 -9.47 1 5 0 56 287.754 3 ↓

Analogs

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Popular Name: 2-chloro-N-(4-fluorophenyl)-9-isopropyl-purin-6-amine 2-chloro-N-(4-fluorophenyl)-9-is…

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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) 4.71 9.96 -9.2 1 5 0 56 305.744 3 ↓

Analogs

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Popular Name: N-(4-bromophenyl)-2-chloro-9-isopropyl-purin-6-amine N-(4-bromophenyl)-2-chloro-9-iso…

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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) 5.36 10.52 -8.63 1 5 0 56 366.65 3 ↓

Parameters Provided:

ring.id = 6987
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 6987 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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