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Popular Name: (2R)-3-chloro-2-methyl-1-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]propan-1-one (2R)-3-chloro-2-methyl-1-[(3S)-3…

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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 5.39 -9.76 1 4 0 49 255.749 3 ↓

Analogs

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Popular Name: (2S)-3-chloro-2-methyl-1-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]propan-1-one (2S)-3-chloro-2-methyl-1-[(3S)-3…

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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 5.43 -9.19 1 4 0 49 255.749 3 ↓

Analogs

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Popular Name: (2R)-3-chloro-2-methyl-1-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]propan-1-one (2R)-3-chloro-2-methyl-1-[(3R)-3…

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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 5.45 -9.25 1 4 0 49 255.749 3 ↓

Analogs

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Popular Name: (2S)-3-chloro-2-methyl-1-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]propan-1-one (2S)-3-chloro-2-methyl-1-[(3R)-3…

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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 5.46 -9.67 1 4 0 49 255.749 3 ↓

Analogs

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Popular Name: (2S)-2-bromo-1-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]butan-1-one (2S)-2-bromo-1-[(3S)-3-(1H-pyraz…

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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) 1.88 5.62 -8.51 1 4 0 49 300.2 3 ↓

Analogs

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Popular Name: (2R)-2-bromo-1-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]butan-1-one (2R)-2-bromo-1-[(3S)-3-(1H-pyraz…

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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) 1.88 5.64 -9.72 1 4 0 49 300.2 3 ↓

Analogs

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Popular Name: (2S)-2-bromo-1-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]butan-1-one (2S)-2-bromo-1-[(3R)-3-(1H-pyraz…

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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) 1.88 5.64 -9.84 1 4 0 49 300.2 3 ↓

Analogs

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Popular Name: (2R)-2-bromo-1-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]butan-1-one (2R)-2-bromo-1-[(3R)-3-(1H-pyraz…

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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) 1.88 5.64 -8.5 1 4 0 49 300.2 3 ↓

Analogs

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Popular Name: 4-amino-4-methyl-1-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]pentan-1-one 4-amino-4-methyl-1-[(3S)-3-(1H-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) 1.04 3.51 -48.16 4 5 1 77 265.381 4 ↓

Analogs

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Popular Name: 4-amino-4-methyl-1-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]pentan-1-one 4-amino-4-methyl-1-[(3R)-3-(1H-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) 1.04 3.51 -48.14 4 5 1 77 265.381 4 ↓

Analogs

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Popular Name: 2-[2-oxo-2-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]ethoxy]acetic 2-[2-oxo-2-[(3R)-3-(1H-pyrazol-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) -0.49 5.13 -58.89 1 7 -1 98 266.277 5 ↓

Analogs

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Popular Name: 2-[2-oxo-2-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]ethoxy]acetic 2-[2-oxo-2-[(3S)-3-(1H-pyrazol-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) -0.49 5.14 -58.88 1 7 -1 98 266.277 5 ↓

Analogs

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Popular Name: 5-amino-1-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]pentan-1-one 5-amino-1-[(3R)-3-(1H-pyrazol-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) 0.13 3.32 -52.46 4 5 1 77 251.354 5 ↓

Analogs

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Popular Name: 5-amino-1-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]pentan-1-one 5-amino-1-[(3S)-3-(1H-pyrazol-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) 0.13 3.32 -52.44 4 5 1 77 251.354 5 ↓

Analogs

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Popular Name: (4S)-4-amino-1-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]pentan-1-one (4S)-4-amino-1-[(3S)-3-(1H-pyraz…

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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) 0.03 3.26 -56.03 4 5 1 77 251.354 4 ↓

Analogs

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Popular Name: (4R)-4-amino-1-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]pentan-1-one (4R)-4-amino-1-[(3S)-3-(1H-pyraz…

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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) 0.03 3.25 -56.41 4 5 1 77 251.354 4 ↓

Analogs

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Popular Name: (4S)-4-amino-1-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]pentan-1-one (4S)-4-amino-1-[(3R)-3-(1H-pyraz…

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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) 0.03 3.25 -56.41 4 5 1 77 251.354 4 ↓

Analogs

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Popular Name: (4R)-4-amino-1-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]pentan-1-one (4R)-4-amino-1-[(3R)-3-(1H-pyraz…

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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) 0.03 3.25 -56.06 4 5 1 77 251.354 4 ↓

Analogs

14996516
14996516
14996519
14996519

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Popular Name: 6-amino-1-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]hexan-1-one 6-amino-1-[(3R)-3-(1H-pyrazol-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) 0.64 4.1 -51.07 4 5 1 77 265.381 6 ↓

Analogs

14996516
14996516
14996519
14996519

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Popular Name: 6-amino-1-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]hexan-1-one 6-amino-1-[(3S)-3-(1H-pyrazol-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) 0.64 4.1 -51.02 4 5 1 77 265.381 6 ↓

Analogs

14996516
14996516
14996519
14996519

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Popular Name: 7-amino-1-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]heptan-1-one 7-amino-1-[(3R)-3-(1H-pyrazol-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) 1.14 4.88 -51.21 4 5 1 77 279.408 7 ↓

Analogs

14996516
14996516
14996519
14996519

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Popular Name: 7-amino-1-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]heptan-1-one 7-amino-1-[(3S)-3-(1H-pyrazol-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) 1.14 4.88 -51.21 4 5 1 77 279.408 7 ↓

Analogs

14996516
14996516
14996519
14996519

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Popular Name: 4-amino-1-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]butan-1-one 4-amino-1-[(3R)-3-(1H-pyrazol-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) -0.37 2.53 -52.13 4 5 1 77 237.327 4 ↓

Analogs

14996516
14996516
14996519
14996519

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Popular Name: 4-amino-1-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]butan-1-one 4-amino-1-[(3S)-3-(1H-pyrazol-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) -0.37 2.53 -52.1 4 5 1 77 237.327 4 ↓

Analogs

14996516
14996516
14996519
14996519

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Popular Name: 4-(methylamino)-1-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]butan-1-one 4-(methylamino)-1-[(3S)-3-(1H-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) 0.61 4.4 -47.38 3 5 1 66 251.354 5 ↓

Analogs

14996516
14996516
14996519
14996519

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Popular Name: 4-(methylamino)-1-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]butan-1-one 4-(methylamino)-1-[(3R)-3-(1H-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) 0.61 4.4 -47.36 3 5 1 66 251.354 5 ↓

Analogs

14996516
14996516
14996519
14996519

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Popular Name: 4-(isopropylamino)-1-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]butan-1-one 4-(isopropylamino)-1-[(3S)-3-(1H…

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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) 1.28 5.77 -45.72 3 5 1 66 279.408 6 ↓

Analogs

14996516
14996516
14996519
14996519

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Popular Name: 4-(isopropylamino)-1-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]butan-1-one 4-(isopropylamino)-1-[(3R)-3-(1H…

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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) 1.28 5.77 -45.72 3 5 1 66 279.408 6 ↓

Analogs

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Popular Name: 2-amino-N-[2-oxo-2-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]ethyl]acetamide 2-amino-N-[2-oxo-2-[(3R)-3-(1H-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) -1.31 -0.46 -50.95 5 7 1 106 266.325 4 ↓
Hi High (pH 8-9.5) -1.31 -0.95 -13.86 4 7 0 104 265.317 4 ↓

Analogs

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Popular Name: 2-amino-N-[2-oxo-2-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]ethyl]acetamide 2-amino-N-[2-oxo-2-[(3S)-3-(1H-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) -1.31 -0.46 -50.91 5 7 1 106 266.325 4 ↓
Hi High (pH 8-9.5) -1.31 -0.95 -13.77 4 7 0 104 265.317 4 ↓

Analogs

14996516
14996516
14996519
14996519

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Popular Name: 3-chloro-1-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]propan-1-one 3-chloro-1-[(3R)-3-(1H-pyrazol-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) 1.16 5.01 -9.56 1 4 0 49 241.722 3 ↓

Analogs

14996516
14996516
14996519
14996519

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Popular Name: 3-chloro-1-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]propan-1-one 3-chloro-1-[(3S)-3-(1H-pyrazol-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) 1.16 5.01 -9.57 1 4 0 49 241.722 3 ↓

Analogs

14996516
14996516
14996519
14996519

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Popular Name: (2S)-2-chloro-1-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]propan-1-one (2S)-2-chloro-1-[(3S)-3-(1H-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) 1.25 4.82 -9.1 1 4 0 49 241.722 2 ↓

Analogs

14996516
14996516
14996519
14996519

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Popular Name: (2R)-2-chloro-1-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]propan-1-one (2R)-2-chloro-1-[(3S)-3-(1H-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) 1.25 4.81 -10.27 1 4 0 49 241.722 2 ↓

Analogs

14996516
14996516
14996519
14996519

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Popular Name: (2S)-2-chloro-1-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]propan-1-one (2S)-2-chloro-1-[(3R)-3-(1H-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) 1.25 4.82 -10.43 1 4 0 49 241.722 2 ↓

Analogs

14996516
14996516
14996519
14996519

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-1-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]propan-1-one (2R)-2-chloro-1-[(3R)-3-(1H-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) 1.25 4.84 -9.03 1 4 0 49 241.722 2 ↓

Analogs

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Popular Name: (2S)-2-bromo-3-methyl-1-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]butan-1-one (2S)-2-bromo-3-methyl-1-[(3S)-3-…

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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 5.99 -10.88 1 4 0 49 314.227 3 ↓

Analogs

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Popular Name: (2R)-2-bromo-3-methyl-1-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]butan-1-one (2R)-2-bromo-3-methyl-1-[(3S)-3-…

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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 6.02 -10.92 1 4 0 49 314.227 3 ↓

Analogs

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Popular Name: (2S)-2-bromo-3-methyl-1-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]butan-1-one (2S)-2-bromo-3-methyl-1-[(3R)-3-…

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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 6.01 -10.88 1 4 0 49 314.227 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-bromo-3-methyl-1-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]butan-1-one (2R)-2-bromo-3-methyl-1-[(3R)-3-…

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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 6.01 -9.32 1 4 0 49 314.227 3 ↓

Analogs

14996516
14996516
14996519
14996519

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Popular Name: 5-chloro-1-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]pentan-1-one 5-chloro-1-[(3R)-3-(1H-pyrazol-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) 1.93 6.57 -11.06 1 4 0 49 269.776 5 ↓

Analogs

14996516
14996516
14996519
14996519

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-1-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]pentan-1-one 5-chloro-1-[(3S)-3-(1H-pyrazol-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) 1.93 6.57 -11.04 1 4 0 49 269.776 5 ↓

Analogs

14996516
14996516
14996519
14996519

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Popular Name: 1-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]prop-2-en-1-one 1-[(3S)-3-(1H-pyrazol-5-yl)-1-pi…

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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) 0.93 4.09 -10.87 1 4 0 49 205.261 2 ↓

Analogs

14996516
14996516
14996519
14996519

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]prop-2-en-1-one 1-[(3R)-3-(1H-pyrazol-5-yl)-1-pi…

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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) 0.93 4.1 -9.71 1 4 0 49 205.261 2 ↓

Analogs

14996516
14996516
14996519
14996519

Draw Identity 99% 90% 80% 70%

Popular Name: 6-oxo-6-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]hexanoic 6-oxo-6-[(3R)-3-(1H-pyrazol-5-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) 1.08 6.65 -50.68 1 6 -1 89 278.332 6 ↓

Analogs

14996516
14996516
14996519
14996519

Draw Identity 99% 90% 80% 70%

Popular Name: 6-oxo-6-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]hexanoic 6-oxo-6-[(3S)-3-(1H-pyrazol-5-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) 1.08 6.65 -50.65 1 6 -1 89 278.332 6 ↓

Analogs

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Popular Name: 4-oxo-4-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]butanoic 4-oxo-4-[(3R)-3-(1H-pyrazol-5-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) 0.07 5.08 -47.82 1 6 -1 89 250.278 4 ↓
Lo Low (pH 4.5-6) 0.07 3.1 -11.27 2 6 0 86 251.286 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]butanoic 4-oxo-4-[(3S)-3-(1H-pyrazol-5-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) 0.07 5.08 -47.77 1 6 -1 89 250.278 4 ↓
Lo Low (pH 4.5-6) 0.07 3.1 -11.26 2 6 0 86 251.286 4 ↓

Analogs

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Popular Name: (E)-4-oxo-4-[(3R)-3-(1H-pyrazol-5-yl)-1-piperidyl]but-2-enoic (E)-4-oxo-4-[(3R)-3-(1H-pyrazol-…

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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) 0.05 4.87 -47.78 1 6 -1 89 248.262 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)-1-piperidyl]but-2-enoic (E)-4-oxo-4-[(3S)-3-(1H-pyrazol-…

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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) 0.05 4.88 -47.74 1 6 -1 89 248.262 3 ↓

Parameters Provided:

ring.id = 147456
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 = 147456 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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