UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 8-benzyl-4-isopropyl-7-(1-naphthyl)-1,5,9-triazabicyclo[4.3.0]nona-3,5,7-trien-2-one 8-benzyl-4-isopropyl-7-(1-naphth…

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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) 6.60 14.27 -16.47 1 4 0 50 393.49 4 ↓

Analogs

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Popular Name: 5-[[(3R)-4-benzyl-3-ethyl-5-oxo-1,4-diazepan-1-yl]methyl]-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-7-one 5-[[(3R)-4-benzyl-3-ethyl-5-oxo-…

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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 8.04 -28.07 1 7 0 74 393.491 5 ↓
Hi High (pH 8-9.5) 2.71 7.55 -48.18 0 7 -1 77 392.483 5 ↓
Lo Low (pH 4.5-6) 2.71 9.49 -59.21 1 7 0 78 393.491 5 ↓

Analogs

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Popular Name: 5-[[(3S)-4-benzyl-3-ethyl-5-oxo-1,4-diazepan-1-yl]methyl]-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-7-one 5-[[(3S)-4-benzyl-3-ethyl-5-oxo-…

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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 9.56 -28.94 1 7 0 74 393.491 5 ↓
Hi High (pH 8-9.5) 2.71 9.02 -51.86 0 7 -1 77 392.483 5 ↓
Lo Low (pH 4.5-6) 2.71 10.13 -63.17 1 7 0 78 393.491 5 ↓

Analogs

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Popular Name: 6-ethyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[5,1-b]pyrimidin-7-one 6-ethyl-3-(2-methoxyphenyl)-2,5-…

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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 7.78 -20.49 1 5 0 59 297.358 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(7-hydroxy-2-tetrahydropyran-4-yl-pyrazolo[1,5-a]pyrimidin-5-yl)-2-methyl-propyl]pyridine- N-[(1R)-1-(7-hydroxy-2-tetrahydr…

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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) 1.73 5.74 -20.86 2 8 0 101 395.463 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(7-hydroxy-2-tetrahydropyran-4-yl-pyrazolo[1,5-a]pyrimidin-5-yl)-2-methyl-propyl]pyridine- N-[(1S)-1-(7-hydroxy-2-tetrahydr…

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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) 1.73 5.74 -20.77 2 8 0 101 395.463 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(7-hydroxy-2-tetrahydropyran-4-yl-pyrazolo[1,5-a]pyrimidin-5-yl)-2-methyl-propyl]pyridine- N-[(1R)-1-(7-hydroxy-2-tetrahydr…

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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) 1.68 5.73 -21.95 2 8 0 101 395.463 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(7-hydroxy-2-tetrahydropyran-4-yl-pyrazolo[1,5-a]pyrimidin-5-yl)-2-methyl-propyl]pyridine- N-[(1S)-1-(7-hydroxy-2-tetrahydr…

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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) 1.68 5.76 -22.11 2 8 0 101 395.463 5 ↓

Analogs

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Popular Name: 5-[(1R)-1-[(3,4-difluorophenyl)methylamino]-2-methyl-propyl]-2-tetrahydropyran-4-yl-pyrazolo[5,1-b]p 5-[(1R)-1-[(3,4-difluorophenyl)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) 3.59 8.4 -23.37 2 6 0 71 416.472 6 ↓
Hi High (pH 8-9.5) 4.05 7.04 -51.69 1 6 -1 75 415.464 6 ↓
Mid Mid (pH 6-8) 3.59 9.53 -83.09 3 6 1 76 417.48 6 ↓

Analogs

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Popular Name: 5-[(1S)-1-[(3,4-difluorophenyl)methylamino]-2-methyl-propyl]-2-tetrahydropyran-4-yl-pyrazolo[5,1-b]p 5-[(1S)-1-[(3,4-difluorophenyl)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) 3.59 8.57 -20.39 2 6 0 71 416.472 6 ↓
Hi High (pH 8-9.5) 4.05 6.92 -47.3 1 6 -1 75 415.464 6 ↓
Mid Mid (pH 6-8) 3.59 9.55 -82.17 3 6 1 76 417.48 6 ↓

Analogs

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Popular Name: 5-[(1R)-1-[(4-fluorophenyl)methylamino]-2-methyl-propyl]-2-tetrahydropyran-4-yl-pyrazolo[5,1-b]pyrim 5-[(1R)-1-[(4-fluorophenyl)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) 3.50 8.33 -19.98 2 6 0 71 398.482 6 ↓
Hi High (pH 8-9.5) 3.96 6.97 -48.8 1 6 -1 75 397.474 6 ↓
Mid Mid (pH 6-8) 3.50 9.17 -71.87 3 6 1 76 399.49 6 ↓

Analogs

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Popular Name: 5-[(1S)-1-[(4-fluorophenyl)methylamino]-2-methyl-propyl]-2-tetrahydropyran-4-yl-pyrazolo[5,1-b]pyrim 5-[(1S)-1-[(4-fluorophenyl)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) 3.50 8.57 -18.08 2 6 0 71 398.482 6 ↓
Hi High (pH 8-9.5) 3.96 7.32 -46.04 1 6 -1 75 397.474 6 ↓
Mid Mid (pH 6-8) 3.50 9.16 -71.96 3 6 1 76 399.49 6 ↓

Analogs

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Popular Name: 5-[(1S)-1-[(4-methoxyphenyl)methylamino]-2-methyl-propyl]-2-tetrahydropyran-4-yl-pyrazolo[5,1-b]pyri 5-[(1S)-1-[(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) 3.39 7.75 -17.98 2 7 0 81 410.518 7 ↓
Hi High (pH 8-9.5) 3.85 6.57 -47.22 1 7 -1 84 409.51 7 ↓
Mid Mid (pH 6-8) 3.39 8.39 -68.94 3 7 1 85 411.526 7 ↓

Analogs

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Popular Name: 5-[(1R)-1-[(4-methoxyphenyl)methylamino]-2-methyl-propyl]-2-tetrahydropyran-4-yl-pyrazolo[5,1-b]pyri 5-[(1R)-1-[(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) 3.39 7.56 -19.47 2 7 0 81 410.518 7 ↓
Hi High (pH 8-9.5) 3.85 5.7 -53.4 1 7 -1 84 409.51 7 ↓
Mid Mid (pH 6-8) 3.39 8.4 -68.74 3 7 1 85 411.526 7 ↓

Analogs

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Popular Name: 5-[(1R)-1-[(3-fluorophenyl)methylamino]-2-methyl-propyl]-2-tetrahydropyran-4-yl-pyrazolo[5,1-b]pyrim 5-[(1R)-1-[(3-fluorophenyl)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) 3.48 8.32 -20.52 2 6 0 71 398.482 6 ↓
Hi High (pH 8-9.5) 3.93 6.99 -48.12 1 6 -1 75 397.474 6 ↓
Mid Mid (pH 6-8) 3.48 9.47 -75.15 3 6 1 76 399.49 6 ↓

Analogs

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Popular Name: 5-[(1S)-1-[(3-fluorophenyl)methylamino]-2-methyl-propyl]-2-tetrahydropyran-4-yl-pyrazolo[5,1-b]pyrim 5-[(1S)-1-[(3-fluorophenyl)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) 3.48 8.57 -17.51 2 6 0 71 398.482 6 ↓
Hi High (pH 8-9.5) 3.93 7.31 -47.63 1 6 -1 75 397.474 6 ↓
Mid Mid (pH 6-8) 3.48 9.5 -74.27 3 6 1 76 399.49 6 ↓

Analogs

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Popular Name: 5-[(1S)-1-[(3-methoxyphenyl)methylamino]-2-methyl-propyl]-2-tetrahydropyran-4-yl-pyrazolo[5,1-b]pyri 5-[(1S)-1-[(3-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) 3.37 7.75 -17.35 2 7 0 81 410.518 7 ↓
Hi High (pH 8-9.5) 3.83 6.56 -48.92 1 7 -1 84 409.51 7 ↓
Mid Mid (pH 6-8) 3.37 8.38 -66.45 3 7 1 85 411.526 7 ↓

Analogs

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Popular Name: 5-[(1R)-1-[(3-methoxyphenyl)methylamino]-2-methyl-propyl]-2-tetrahydropyran-4-yl-pyrazolo[5,1-b]pyri 5-[(1R)-1-[(3-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) 3.37 7.56 -20.04 2 7 0 81 410.518 7 ↓
Hi High (pH 8-9.5) 3.83 6.22 -49.56 1 7 -1 84 409.51 7 ↓
Mid Mid (pH 6-8) 3.37 8.4 -67 3 7 1 85 411.526 7 ↓

Analogs

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Popular Name: 5-[(1R)-1-[(2,3-difluorophenyl)methylamino]-2-methyl-propyl]-2-tetrahydropyran-4-yl-pyrazolo[5,1-b]p 5-[(1R)-1-[(2,3-difluorophenyl)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) 3.57 9.49 -73.35 3 6 1 76 417.48 6 ↓
Hi High (pH 8-9.5) 4.02 6.49 -48.14 1 6 -1 75 415.464 6 ↓
Hi High (pH 8-9.5) 3.57 8.34 -23.42 2 6 0 71 416.472 6 ↓

Analogs

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Popular Name: 5-[(1S)-1-[(2,3-difluorophenyl)methylamino]-2-methyl-propyl]-2-tetrahydropyran-4-yl-pyrazolo[5,1-b]p 5-[(1S)-1-[(2,3-difluorophenyl)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) 3.57 9.52 -71.08 3 6 1 76 417.48 6 ↓
Hi High (pH 8-9.5) 4.02 7.34 -52.54 1 6 -1 75 415.464 6 ↓
Hi High (pH 8-9.5) 3.57 8.54 -18.79 2 6 0 71 416.472 6 ↓

Analogs

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Popular Name: 5-[(1R)-1-[(2-fluorophenyl)methylamino]-2-methyl-propyl]-2-tetrahydropyran-4-yl-pyrazolo[5,1-b]pyrim 5-[(1R)-1-[(2-fluorophenyl)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) 3.45 9.44 -66.54 3 6 1 76 399.49 6 ↓

Analogs

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Popular Name: 5-[(1S)-1-[(2-fluorophenyl)methylamino]-2-methyl-propyl]-2-tetrahydropyran-4-yl-pyrazolo[5,1-b]pyrim 5-[(1S)-1-[(2-fluorophenyl)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) 3.45 9.46 -65.5 3 6 1 76 399.49 6 ↓

Analogs

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Popular Name: 5-[(1S)-1-[(2-methoxyphenyl)methylamino]-2-methyl-propyl]-2-tetrahydropyran-4-yl-pyrazolo[5,1-b]pyri 5-[(1S)-1-[(2-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) 3.34 8.45 -59.37 3 7 1 85 411.526 7 ↓

Analogs

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Popular Name: 5-[(1R)-1-[(2-methoxyphenyl)methylamino]-2-methyl-propyl]-2-tetrahydropyran-4-yl-pyrazolo[5,1-b]pyri 5-[(1R)-1-[(2-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) 3.34 8.43 -61.15 3 7 1 85 411.526 7 ↓

Analogs

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Popular Name: 5-[(1S)-1-[(4-isopropoxyphenyl)methylamino]ethyl]-2-tetrahydropyran-4-yl-pyrazolo[5,1-b]pyrimidin-7- 5-[(1S)-1-[(4-isopropoxyphenyl)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) 3.38 7.36 -17.87 2 7 0 81 410.518 7 ↓
Hi High (pH 8-9.5) 3.84 6.27 -49.75 1 7 -1 84 409.51 7 ↓
Lo Low (pH 4.5-6) 3.38 8.71 -73.29 3 7 1 85 411.526 7 ↓

Analogs

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Popular Name: 5-[(1R)-1-[(4-isopropoxyphenyl)methylamino]ethyl]-2-tetrahydropyran-4-yl-pyrazolo[5,1-b]pyrimidin-7- 5-[(1R)-1-[(4-isopropoxyphenyl)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) 3.38 7.42 -20.74 2 7 0 81 410.518 7 ↓
Hi High (pH 8-9.5) 3.84 6.29 -46.82 1 7 -1 84 409.51 7 ↓
Lo Low (pH 4.5-6) 3.38 8.72 -73.7 3 7 1 85 411.526 7 ↓

Analogs

12854733
12854733

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Popular Name: 4-[(2R)-3-(2-fluorophenoxy)-2-hydroxy-propyl]-2,5-dimethyl-pyrazolo[5,1-b]pyrimidin-7-one 4-[(2R)-3-(2-fluorophenoxy)-2-hy…

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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 5.97 -32.34 1 6 0 69 331.347 5 ↓

Analogs

12854730
12854730

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Popular Name: 4-[(2S)-3-(2-fluorophenoxy)-2-hydroxy-propyl]-2,5-dimethyl-pyrazolo[5,1-b]pyrimidin-7-one 4-[(2S)-3-(2-fluorophenoxy)-2-hy…

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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 5.98 -32.23 1 6 0 69 331.347 5 ↓

Analogs

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Popular Name: 6-allyl-5-methyl-2-(m-tolyl)pyrazolo[5,1-b]pyrimidin-7-ol 6-allyl-5-methyl-2-(m-tolyl)pyra…

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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) 3.31 9 -22.99 1 4 0 50 279.343 3 ↓
Hi High (pH 8-9.5) 3.77 7.59 -52.49 0 4 -1 53 278.335 3 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.51 10.66 -24.34 1 6 0 76 353.422 6 ↓
Hi High (pH 8-9.5) 3.97 9.33 -52.84 0 6 -1 80 352.414 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.83 9.5 -27.7 1 6 0 76 343.358 6 ↓
Hi High (pH 8-9.5) 3.28 8.15 -52.35 0 6 -1 80 342.35 6 ↓

Analogs

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Popular Name: 2,3-diethyl-5-[(7-fluoro-2-methyl-1H-indol-3-yl)methyl]-4H-pyrazolo[5,1-b]pyrimidin-7-one 2,3-diethyl-5-[(7-fluoro-2-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) 4.56 9.76 -22.53 2 5 0 66 352.413 4 ↓

Analogs

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Popular Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-cyclobutyl-4H-pyrazolo[5,1-b]pyrimidin-7-one 5-(1,3-benzodioxol-5-ylmethyl)-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) 3.21 7.79 -25.73 1 6 0 69 323.352 3 ↓

Analogs

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Popular Name: benzyl benzyl

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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) 2.13 8 -20.39 1 7 0 80 352.394 6 ↓
Hi High (pH 8-9.5) 2.58 7.27 -52.1 0 7 -1 83 351.386 6 ↓

Analogs

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Popular Name: benzyl benzyl

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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) 2.13 8.28 -26.03 1 7 0 80 352.394 6 ↓
Hi High (pH 8-9.5) 2.58 7.38 -52.28 0 7 -1 83 351.386 6 ↓

Analogs

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Popular Name: 5-[(8-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-4H-pyrazolo[1,5-a]pyrimidin-7-one 5-[(8-fluoro-5-methyl-3,4-dihydr…

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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 8.1 -21.25 1 5 0 53 312.348 2 ↓
Hi High (pH 8-9.5) 3.46 7.22 -51.07 0 5 -1 56 311.34 2 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.88 3.96 -16.49 1 8 0 83 369.372 7 ↓
Mid Mid (pH 6-8) 1.34 5.68 -51.08 1 8 0 87 369.372 7 ↓
Mid Mid (pH 6-8) 1.34 3.41 -48.32 0 8 -1 86 368.364 7 ↓

Analogs

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Popular Name: N-benzyl-N-tert-butyl-2-(2,5-dimethyl-7-oxo-pyrazolo[5,1-b]pyrimidin-4-yl)acetamide N-benzyl-N-tert-butyl-2-(2,5-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) 2.68 10.5 -26.74 0 6 0 60 366.465 5 ↓

Analogs

14250975
14250975

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Popular Name: N-[(1S)-1,2-diphenylethyl]-2-(5-methyl-7-oxo-2-phenyl-pyrazolo[5,1-b]pyrimidin-4-yl)acetamide N-[(1S)-1,2-diphenylethyl]-2-(5-…

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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) 4.69 15.16 -33.96 1 6 0 68 462.553 7 ↓

Analogs

14250973
14250973

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Popular Name: N-[(1R)-1,2-diphenylethyl]-2-(5-methyl-7-oxo-2-phenyl-pyrazolo[5,1-b]pyrimidin-4-yl)acetamide N-[(1R)-1,2-diphenylethyl]-2-(5-…

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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) 4.69 15.22 -34.07 1 6 0 68 462.553 7 ↓

Analogs

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Popular Name: N-[4,5-bis(p-tolyl)thiazol-2-yl]-2-(2,5-dimethyl-7-oxo-pyrazolo[5,1-b]pyrimidin-4-yl)acetamide N-[4,5-bis(p-tolyl)thiazol-2-yl]…

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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) 5.10 14.36 -36.43 1 7 0 81 483.597 5 ↓

Analogs

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Popular Name: 2-(5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(8-methyl-5-quinolyl)acetamide 2-(5-methyl-7-oxo-4H-pyrazolo[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) 2.03 6.74 -31.74 2 7 0 92 347.378 3 ↓
Hi High (pH 8-9.5) 2.49 5.45 -56.16 1 7 -1 95 346.37 3 ↓
Lo Low (pH 4.5-6) 2.03 7.1 -58.36 3 7 1 93 348.386 3 ↓

Analogs

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Popular Name: N-cyclohexyl-2-(5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-ynyl-acetamide N-cyclohexyl-2-(5-methyl-7-oxo-4…

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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) 1.98 8.38 -26.07 1 6 0 70 326.4 4 ↓

Analogs

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Popular Name: 6-[2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-2-oxo-ethyl]-5-methyl-4H-pyrazolo[1,5-a]pyrimidin-7-one 6-[2-[(2R)-2-cyclohexylpyrrolidi…

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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 9.21 -29.07 1 6 0 70 342.443 3 ↓

Analogs

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Popular Name: 6-[2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-2-oxo-ethyl]-5-methyl-4H-pyrazolo[1,5-a]pyrimidin-7-one 6-[2-[(2S)-2-cyclohexylpyrrolidi…

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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 9.15 -28.64 1 6 0 70 342.443 3 ↓

Analogs

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Popular Name: 2-(5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(5-quinolyl)acetamide 2-(5-methyl-7-oxo-4H-pyrazolo[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) 1.63 5.97 -31.35 2 7 0 92 333.351 3 ↓

Analogs

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Popular Name: 2-anilino-N-(1,3-benzothiazol-2-yl)-7-hydroxy-5-methyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide 2-anilino-N-(1,3-benzothiazol-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) 3.95 9.59 -23.97 3 8 0 104 416.466 4 ↓
Mid Mid (pH 6-8) 4.41 8.22 -53.78 2 8 -1 107 415.458 4 ↓

Analogs

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Popular Name: 5-[[cyclopropyl(2-thienylmethyl)amino]methyl]-4H-pyrazolo[1,5-a]pyrimidin-7-one 5-[[cyclopropyl(2-thienylmethyl)…

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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 5.96 -16.54 1 5 0 53 300.387 5 ↓
Hi High (pH 8-9.5) 2.40 5.28 -46.18 0 5 -1 56 299.379 5 ↓
Lo Low (pH 4.5-6) 2.40 7.69 -48.62 1 5 0 58 300.387 5 ↓

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propa N-(2,5-dimethylphenyl)-3-[2-(2-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) 4.46 12.13 -31.46 1 7 0 78 444.535 6 ↓

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propa N-(3,5-dimethylphenyl)-3-[2-(2-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) 4.46 11.92 -31.62 1 7 0 78 444.535 6 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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