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Analogs

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Popular Name: 1-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]but-2-yn-1-one 1-[3-(3-methoxyphenyl)-1,4,6,7-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) 2.33 -0.82 -16.03 1 5 0 58 295.342 2 ↓

Analogs

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Popular Name: 3-(2-fluorophenyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-sulfonamide 3-(2-fluorophenyl)-N,N-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) 1.50 3.69 -14.72 1 6 0 69 324.381 3 ↓

Analogs

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Popular Name: 3-phenyl-5-(4,4,4-trifluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine 3-phenyl-5-(4,4,4-trifluorobutyl…

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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) 3.47 8.91 -51.57 2 3 1 33 310.343 5 ↓

Analogs

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Popular Name: 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]-3-methylsulfanyl-propan-1-one 1-[3-(4-chlorophenyl)-1,4,6,7-te…

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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) 2.80 8.08 -11.79 1 4 0 49 335.86 4 ↓

Analogs

11819952
11819952

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Popular Name: methyl 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) 2.46 8.5 -51.95 2 6 1 69 344.435 7 ↓

Analogs

11819951
11819951

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Popular Name: methyl 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) 2.46 8.47 -52.5 2 6 1 69 344.435 7 ↓

Analogs

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Popular Name: 3-(2-fluorophenyl)-5-propylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine 3-(2-fluorophenyl)-5-propylsulfo…

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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) 2.37 4.97 -15.36 1 5 0 66 323.393 4 ↓

Analogs

11820073
11820073

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Popular Name: 3-(3-methoxyphenyl)-5-[(1S)-1-methyl-2-methylsulfanyl-ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridi 3-(3-methoxyphenyl)-5-[(1S)-1-me…

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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) 2.89 8.13 -41.73 2 4 1 42 318.466 5 ↓

Analogs

11820072
11820072

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Popular Name: 3-(3-methoxyphenyl)-5-[(1R)-1-methyl-2-methylsulfanyl-ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridi 3-(3-methoxyphenyl)-5-[(1R)-1-me…

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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) 2.89 8.14 -41.37 2 4 1 42 318.466 5 ↓

Analogs

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Popular Name: 3-methylsulfanyl-1-[3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]prop 3-methylsulfanyl-1-[3-[4-(triflu…

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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) 3.02 8.56 -12.09 1 4 0 49 369.412 5 ↓

Analogs

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Popular Name: tert-butyl 3-(4-chlorophenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate tert-butyl 3-(4-chlorophenyl)-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) 3.72 7.9 -8.99 1 5 0 58 333.819 3 ↓

Analogs

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Popular Name: 3-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-ol 3-[3-(2-fluorophenyl)-1,4,6,7-te…

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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) 1.76 2.61 -11.84 2 4 0 52 275.327 4 ↓
Mid Mid (pH 6-8) 1.76 4.9 -37.95 3 4 1 53 276.335 4 ↓

Analogs

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Popular Name: 1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-methoxy-2,2-dimethyl-prop 1-[3-(3,4-difluorophenyl)-1,4,6,…

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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) 2.72 6.27 -12.47 1 5 0 58 349.381 4 ↓

Analogs

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Popular Name: 1-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-ethanone 1-[3-(3-fluorophenyl)-1,4,6,7-te…

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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) 0.83 3.5 -20.18 2 5 0 69 275.283 2 ↓

Analogs

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Popular Name: 1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2,2-dimethyl-propan-1-one 1-[3-(3,4-difluorophenyl)-1,4,6,…

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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) 3.28 7.06 -13.09 1 4 0 49 319.355 2 ↓

Analogs

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Popular Name: 2-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanol 2-[3-(3-fluorophenyl)-1,4,6,7-te…

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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 4.11 -45.33 3 4 1 53 262.308 3 ↓
Mid Mid (pH 6-8) 1.51 1.85 -8.08 2 4 0 52 261.3 3 ↓

Analogs

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Popular Name: 2-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]acetamide 2-[3-(2-fluorophenyl)-1,4,6,7-te…

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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) 0.85 1.47 -15.73 3 5 0 75 274.299 3 ↓
Mid Mid (pH 6-8) 0.85 3.7 -39.57 4 5 1 76 275.307 3 ↓

Analogs

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Popular Name: N-[2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxo-ethyl]-2-methyl-pr N-[2-[3-(3,4-difluorophenyl)-1,4…

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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) 1.81 5.55 -13.78 2 6 0 78 362.38 4 ↓

Analogs

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Popular Name: 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-isobutyl-2-oxo-acetamide 2-[3-(3,4-difluorophenyl)-1,4,6,…

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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) 1.81 5.57 -8.61 2 6 0 78 362.38 4 ↓

Analogs

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Popular Name: (2S)-N-tert-butyl-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)butanamide (2S)-N-tert-butyl-2-(3-phenyl-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) 3.16 8.26 -38.9 3 5 1 62 341.479 5 ↓
Mid Mid (pH 6-8) 3.16 6.46 -9.89 2 5 0 61 340.471 5 ↓

Analogs

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Popular Name: (2R)-N-tert-butyl-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)butanamide (2R)-N-tert-butyl-2-(3-phenyl-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) 3.16 8.38 -44.68 3 5 1 62 341.479 5 ↓
Mid Mid (pH 6-8) 3.16 6.67 -10.59 2 5 0 61 340.471 5 ↓

Analogs

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Popular Name: N-[(1S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-1-(hydroxymethyl)-2 N-[(1S)-2-[3-(3,4-difluorophenyl…

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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) 0.08 1.37 -16.18 3 7 0 98 364.352 4 ↓

Analogs

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Popular Name: N-[(1R)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-1-(hydroxymethyl)-2 N-[(1R)-2-[3-(3,4-difluorophenyl…

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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) 0.08 1.42 -15.8 3 7 0 98 364.352 4 ↓

Analogs

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Popular Name: 1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methoxy-2-methyl-propan-1 1-[3-(3,4-difluorophenyl)-1,4,6,…

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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) 2.37 6.1 -11.14 1 5 0 58 335.354 3 ↓

Analogs

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Popular Name: 3-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanoic 3-[3-(3-fluorophenyl)-1,4,6,7-te…

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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) 1.66 8.04 -51.57 2 5 0 73 289.31 4 ↓
Mid Mid (pH 6-8) 1.66 5.8 -47.59 1 5 -1 72 288.302 4 ↓

Analogs

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Popular Name: 2-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanol 2-[3-(2-fluorophenyl)-1,4,6,7-te…

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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 4.15 -44.95 3 4 1 53 262.308 3 ↓
Mid Mid (pH 6-8) 1.49 1.98 -9.46 2 4 0 52 261.3 3 ↓

Analogs

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Popular Name: N-[(1S)-1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-3-methyl-butyl]a N-[(1S)-1-[3-(2-fluorophenyl)-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) 2.23 8.04 -26.19 2 6 0 78 372.444 5 ↓

Analogs

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Popular Name: 2-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]acetamide 2-[3-(3-fluorophenyl)-1,4,6,7-te…

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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 1.42 -13.87 3 5 0 75 274.299 3 ↓
Mid Mid (pH 6-8) 0.88 3.55 -42.66 4 5 1 76 275.307 3 ↓

Analogs

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Popular Name: 3-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-ol 3-[3-(3-fluorophenyl)-1,4,6,7-te…

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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) 1.78 4.79 -48.49 3 4 1 53 276.335 4 ↓
Mid Mid (pH 6-8) 1.78 2.55 -7.91 2 4 0 52 275.327 4 ↓

Parameters Provided:

ring.id = 30551
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 = 30551 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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