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Analogs

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Popular Name: 6-[[(3,4-difluorophenyl)methyl-methyl-amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[(3,4-difluorophenyl)methyl-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) 1.10 5.62 -16.68 1 6 0 67 319.315 4 ↓
Lo Low (pH 4.5-6) 1.10 7.92 -70.73 2 6 1 68 320.323 4 ↓

Analogs

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Popular Name: 6-[[allyl(benzyl)amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[allyl(benzyl)amino]methyl]-1…

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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) 1.49 6.9 -11.85 1 6 0 67 309.373 6 ↓
Lo Low (pH 4.5-6) 1.49 8.99 -54.2 2 6 1 68 310.381 6 ↓

Analogs

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Popular Name: 3-[[methyl-[(1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]methyl]benzonitrile 3-[[methyl-[(1-methyl-4-oxo-5H-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) 0.57 5.87 -17.19 1 7 0 91 308.345 4 ↓
Lo Low (pH 4.5-6) 0.57 8.18 -70.35 2 7 1 92 309.353 4 ↓

Analogs

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Popular Name: 4-[[methyl-[(1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]methyl]benzonitrile 4-[[methyl-[(1-methyl-4-oxo-5H-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) 0.60 5.87 -17.19 1 7 0 91 308.345 4 ↓
Lo Low (pH 4.5-6) 0.60 8.19 -72.24 2 7 1 92 309.353 4 ↓

Analogs

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Popular Name: 4-[[(1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl-propyl-amino]methyl]benzonitrile 4-[[(1-methyl-4-oxo-5H-pyrazolo[…

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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) 1.47 7.29 -15.8 1 7 0 91 336.399 6 ↓
Lo Low (pH 4.5-6) 1.47 9.43 -67.19 2 7 1 92 337.407 6 ↓

Analogs

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Popular Name: 4-[[ethyl-[(1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]methyl]-3-fluoro-benzonitri 4-[[ethyl-[(1-methyl-4-oxo-5H-py…

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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) 1.06 6.68 -15.44 1 7 0 91 340.362 5 ↓
Lo Low (pH 4.5-6) 1.06 8.58 -65.1 2 7 1 92 341.37 5 ↓

Analogs

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Popular Name: 1-methyl-6-[[methyl-[(1R)-1-(p-tolyl)ethyl]amino]methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-6-[[methyl-[(1R)-1-(p-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) 1.85 7.07 -10.46 1 6 0 67 311.389 4 ↓
Lo Low (pH 4.5-6) 1.85 9.13 -51.64 2 6 1 68 312.397 4 ↓

Analogs

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Popular Name: 1-methyl-6-[[methyl-[(1S)-1-(p-tolyl)ethyl]amino]methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-6-[[methyl-[(1S)-1-(p-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) 1.85 7.12 -11.73 1 6 0 67 311.389 4 ↓
Lo Low (pH 4.5-6) 1.85 9.11 -54.53 2 6 1 68 312.397 4 ↓

Analogs

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Popular Name: 4-[(1S)-1-[ethyl-[(1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]ethyl]benzonitrile 4-[(1S)-1-[ethyl-[(1-methyl-4-ox…

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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) 1.53 7.17 -15.66 1 7 0 91 336.399 5 ↓
Mid Mid (pH 6-8) 1.53 9.08 -64.29 2 7 1 92 337.407 5 ↓
Mid Mid (pH 6-8) 1.99 6.45 -50.86 1 7 0 95 336.399 5 ↓

Analogs

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Popular Name: 4-[(1R)-1-[ethyl-[(1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]ethyl]benzonitrile 4-[(1R)-1-[ethyl-[(1-methyl-4-ox…

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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) 1.53 7.17 -15.69 1 7 0 91 336.399 5 ↓
Mid Mid (pH 6-8) 1.53 9.05 -63.9 2 7 1 92 337.407 5 ↓
Mid Mid (pH 6-8) 1.99 6.7 -51.67 1 7 0 95 336.399 5 ↓

Analogs

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Popular Name: 6-[[ethyl-[(4-methoxyphenyl)methyl]amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[ethyl-[(4-methoxyphenyl)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) 1.27 5.44 -13.39 1 7 0 76 327.388 6 ↓
Mid Mid (pH 6-8) 1.27 7.6 -56.72 2 7 1 77 328.396 6 ↓
Mid Mid (pH 6-8) 1.73 4.95 -45.1 1 7 0 80 327.388 6 ↓

Analogs

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Popular Name: 6-[[ethyl-[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[ethyl-[(1S)-1-(4-fluoropheny…

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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) 1.94 6.85 -12.94 1 6 0 67 329.379 5 ↓
Mid Mid (pH 6-8) 1.94 8.75 -57.56 2 6 1 68 330.387 5 ↓
Mid Mid (pH 6-8) 2.40 6.12 -45.65 1 6 0 71 329.379 5 ↓

Analogs

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Popular Name: 6-[[ethyl-[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[ethyl-[(1R)-1-(4-fluoropheny…

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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) 1.94 6.85 -12.92 1 6 0 67 329.379 5 ↓
Mid Mid (pH 6-8) 1.94 8.74 -57.24 2 6 1 68 330.387 5 ↓
Mid Mid (pH 6-8) 2.40 6.37 -47.12 1 6 0 71 329.379 5 ↓

Analogs

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Popular Name: 6-[[(3,4-difluorophenyl)methyl-ethyl-amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[(3,4-difluorophenyl)methyl-e…

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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) 1.47 6.29 -14.58 1 6 0 67 333.342 5 ↓
Mid Mid (pH 6-8) 1.47 8.57 -66.93 2 6 1 68 334.35 5 ↓
Mid Mid (pH 6-8) 1.93 5.97 -52.4 1 6 0 71 333.342 5 ↓

Analogs

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Popular Name: 6-[[allyl-[(4-methoxyphenyl)methyl]amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[allyl-[(4-methoxyphenyl)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) 1.54 6.22 -13.87 1 7 0 76 339.399 7 ↓
Lo Low (pH 4.5-6) 1.54 8.11 -57.46 2 7 1 77 340.407 7 ↓

Analogs

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Popular Name: 3-[[methyl-[(1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]methyl]benzamide 3-[[methyl-[(1-methyl-4-oxo-5H-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) -0.36 2.27 -19.21 3 8 0 110 326.36 5 ↓
Lo Low (pH 4.5-6) -0.36 4.58 -64.57 4 8 1 111 327.368 5 ↓

Analogs

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Popular Name: 2-[benzyl-[(1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]acetonitrile 2-[benzyl-[(1-methyl-4-oxo-5H-py…

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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) 0.63 5.57 -19.37 1 7 0 91 308.345 5 ↓
Hi High (pH 8-9.5) 1.08 2.8 -46.55 0 7 -1 94 307.337 5 ↓

Analogs

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Popular Name: 6-[[benzyl(methyl)amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[benzyl(methyl)amino]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) 0.84 5.5 -12.57 1 6 0 67 283.335 4 ↓
Lo Low (pH 4.5-6) 0.84 7.79 -58.69 2 6 1 68 284.343 4 ↓

Analogs

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Popular Name: 6-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[(4-ethoxyphenyl)methyl-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) 1.27 5.71 -14.2 1 7 0 76 327.388 6 ↓
Lo Low (pH 4.5-6) 1.27 8.02 -61.97 2 7 1 77 328.396 6 ↓

Analogs

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Popular Name: 6-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[(4-methoxyphenyl)methyl-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) 0.90 4.79 -14.43 1 7 0 76 313.361 5 ↓
Lo Low (pH 4.5-6) 0.90 7.09 -62.07 2 7 1 77 314.369 5 ↓

Analogs

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Popular Name: 6-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[(4-tert-butylphenyl)methyl-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) 2.55 7.8 -12.17 1 6 0 67 339.443 5 ↓
Lo Low (pH 4.5-6) 2.55 10.12 -58.59 2 6 1 68 340.451 5 ↓

Analogs

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Popular Name: 6-[[(3-fluorophenyl)methyl-methyl-amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[(3-fluorophenyl)methyl-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) 0.98 5.56 -14.19 1 6 0 67 301.325 4 ↓
Lo Low (pH 4.5-6) 0.98 7.86 -63.49 2 6 1 68 302.333 4 ↓

Analogs

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Popular Name: 6-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[(3,4-dimethoxyphenyl)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) 0.49 4.69 -17.21 1 8 0 85 343.387 6 ↓
Lo Low (pH 4.5-6) 0.49 7 -66.62 2 8 1 86 344.395 6 ↓

Analogs

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Popular Name: 6-[[(4-allyloxyphenyl)methyl-methyl-amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[(4-allyloxyphenyl)methyl-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) 1.54 6.3 -14.36 1 7 0 76 339.399 7 ↓
Lo Low (pH 4.5-6) 1.54 8.6 -62.38 2 7 1 77 340.407 7 ↓

Analogs

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Popular Name: 6-[[(3-chlorophenyl)methyl-methyl-amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[(3-chlorophenyl)methyl-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) 1.50 6.01 -13.36 1 6 0 67 317.78 4 ↓
Lo Low (pH 4.5-6) 1.50 8.31 -62.36 2 6 1 68 318.788 4 ↓

Analogs

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Popular Name: 6-[[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-on 6-[[(3-fluoro-4-methoxy-phenyl)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) 0.99 4.86 -17.38 1 7 0 76 331.351 5 ↓
Lo Low (pH 4.5-6) 0.99 7.17 -68.02 2 7 1 77 332.359 5 ↓

Analogs

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Popular Name: 6-[[[(1S)-1-(4-fluorophenyl)ethyl]-methyl-amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[[(1S)-1-(4-fluorophenyl)ethy…

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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) 1.56 6.51 -13.28 1 6 0 67 315.352 4 ↓
Lo Low (pH 4.5-6) 1.56 8.49 -60.45 2 6 1 68 316.36 4 ↓

Analogs

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Popular Name: 6-[[[(1R)-1-(4-fluorophenyl)ethyl]-methyl-amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[[(1R)-1-(4-fluorophenyl)ethy…

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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) 1.56 6.46 -12.3 1 6 0 67 315.352 4 ↓
Lo Low (pH 4.5-6) 1.56 8.51 -57.72 2 6 1 68 316.36 4 ↓

Analogs

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Popular Name: 6-[[benzyl(isopropyl)amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[benzyl(isopropyl)amino]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) 1.51 6.51 -11.4 1 6 0 67 311.389 5 ↓
Mid Mid (pH 6-8) 1.97 5.77 -44.4 1 6 0 71 311.389 5 ↓
Mid Mid (pH 6-8) 1.51 8.28 -53.57 2 6 1 68 312.397 5 ↓

Analogs

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Popular Name: 6-[[[(1S)-1-(4-chlorophenyl)ethyl]-methyl-amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[[(1S)-1-(4-chlorophenyl)ethy…

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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) 2.08 6.96 -12.53 1 6 0 67 331.807 4 ↓
Lo Low (pH 4.5-6) 2.08 8.95 -59.44 2 6 1 68 332.815 4 ↓

Analogs

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Popular Name: 6-[[[(1R)-1-(4-chlorophenyl)ethyl]-methyl-amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[[(1R)-1-(4-chlorophenyl)ethy…

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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) 2.08 6.91 -11.49 1 6 0 67 331.807 4 ↓
Lo Low (pH 4.5-6) 2.08 8.97 -56.76 2 6 1 68 332.815 4 ↓

Analogs

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Popular Name: 1-methyl-6-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-6-[[methyl-[(2-nitrophe…

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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) 0.75 6.53 -18.15 1 9 0 113 328.332 5 ↓
Lo Low (pH 4.5-6) 0.75 8.48 -60.79 2 9 1 114 329.34 5 ↓

Analogs

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Popular Name: 6-[[ethyl-[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[ethyl-[(1S)-1-(3-methoxyphen…

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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 5.33 -13.21 1 7 0 76 341.415 6 ↓
Mid Mid (pH 6-8) 1.81 7.97 -49.84 2 7 1 77 342.423 6 ↓
Mid Mid (pH 6-8) 2.27 5.55 -45.21 1 7 0 80 341.415 6 ↓

Analogs

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Popular Name: 6-[[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[ethyl-[(1R)-1-(3-methoxyphen…

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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 5.6 -12.78 1 7 0 76 341.415 6 ↓
Mid Mid (pH 6-8) 1.81 8.06 -49.92 2 7 1 77 342.423 6 ↓
Mid Mid (pH 6-8) 2.27 5.46 -41.87 1 7 0 80 341.415 6 ↓

Parameters Provided:

ring.id = 25038
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 = 25038 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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