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Analogs

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Popular Name: (2S,5R)-2-methyl-5-(4-methylpyrazol-1-yl)piperidine (2S,5R)-2-methyl-5-(4-methylpyra…

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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 4.84 -41.34 2 3 1 34 180.275 1 ↓
Hi High (pH 8-9.5) 1.27 3.54 -4.22 1 3 0 30 179.267 1 ↓

Analogs

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Popular Name: (2S,5S)-2-methyl-5-(4-methylpyrazol-1-yl)piperidine (2S,5S)-2-methyl-5-(4-methylpyra…

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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 4.49 -40.08 2 3 1 34 180.275 1 ↓
Hi High (pH 8-9.5) 1.27 3.21 -4.51 1 3 0 30 179.267 1 ↓

Analogs

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Popular Name: (2R,5R)-2-methyl-5-(4-methylpyrazol-1-yl)piperidine (2R,5R)-2-methyl-5-(4-methylpyra…

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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 4.5 -40.11 2 3 1 34 180.275 1 ↓
Hi High (pH 8-9.5) 1.27 3.19 -4.8 1 3 0 30 179.267 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-2-methyl-5-(4-methylpyrazol-1-yl)piperidine (2R,5S)-2-methyl-5-(4-methylpyra…

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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 4.84 -41.19 2 3 1 34 180.275 1 ↓
Hi High (pH 8-9.5) 1.27 4.24 -5 1 3 0 30 179.267 1 ↓

Analogs

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Popular Name: (2S,5R)-2-methyl-5-(3,4,5-trimethylpyrazol-1-yl)piperidine (2S,5R)-2-methyl-5-(3,4,5-trimet…

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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) 1.71 6.36 -32.89 2 3 1 34 208.329 1 ↓
Hi High (pH 8-9.5) 1.71 5.07 -4.64 1 3 0 30 207.321 1 ↓

Analogs

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Popular Name: (2S,5S)-2-methyl-5-(3,4,5-trimethylpyrazol-1-yl)piperidine (2S,5S)-2-methyl-5-(3,4,5-trimet…

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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) 1.71 5.68 -40.25 2 3 1 34 208.329 1 ↓
Hi High (pH 8-9.5) 1.71 4.41 -6.04 1 3 0 30 207.321 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-2-methyl-5-(3,4,5-trimethylpyrazol-1-yl)piperidine (2R,5R)-2-methyl-5-(3,4,5-trimet…

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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) 1.71 5.68 -40.11 2 3 1 34 208.329 1 ↓
Hi High (pH 8-9.5) 1.71 4.41 -5.42 1 3 0 30 207.321 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-2-methyl-5-(3,4,5-trimethylpyrazol-1-yl)piperidine (2R,5S)-2-methyl-5-(3,4,5-trimet…

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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) 1.71 6.36 -32.88 2 3 1 34 208.329 1 ↓
Hi High (pH 8-9.5) 1.71 5.18 -5.54 1 3 0 30 207.321 1 ↓

Analogs

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Popular Name: (2S,5R)-5-(4-ethyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-piperidine (2S,5R)-5-(4-ethyl-3,5-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) 2.18 7.1 -32.73 2 3 1 34 222.356 2 ↓
Hi High (pH 8-9.5) 2.18 5.81 -4.32 1 3 0 30 221.348 2 ↓

Analogs

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Popular Name: (2S,5S)-5-(4-ethyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-piperidine (2S,5S)-5-(4-ethyl-3,5-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) 2.18 6.42 -39.99 2 3 1 34 222.356 2 ↓
Hi High (pH 8-9.5) 2.18 5.15 -5.68 1 3 0 30 221.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-5-(4-ethyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-piperidine (2R,5R)-5-(4-ethyl-3,5-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) 2.18 6.42 -39.98 2 3 1 34 222.356 2 ↓
Hi High (pH 8-9.5) 2.18 5.16 -5.07 1 3 0 30 221.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-5-(4-ethyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-piperidine (2R,5S)-5-(4-ethyl-3,5-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) 2.18 7.1 -32.75 2 3 1 34 222.356 2 ↓
Hi High (pH 8-9.5) 2.18 5.92 -5.21 1 3 0 30 221.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-2-methyl-5-pyrazol-1-yl-piperidine (2R,5S)-2-methyl-5-pyrazol-1-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) 0.89 4.16 -41.42 2 3 1 34 166.248 1 ↓
Hi High (pH 8-9.5) 0.89 3.57 -4.92 1 3 0 30 165.24 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-2-methyl-5-pyrazol-1-yl-piperidine (2S,5S)-2-methyl-5-pyrazol-1-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) 0.89 3.8 -44.16 2 3 1 34 166.248 1 ↓
Hi High (pH 8-9.5) 0.89 2.51 -4.7 1 3 0 30 165.24 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-2-methyl-5-pyrazol-1-yl-piperidine (2R,5R)-2-methyl-5-pyrazol-1-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) 0.89 3.79 -44.17 2 3 1 34 166.248 1 ↓
Hi High (pH 8-9.5) 0.89 2.5 -4.95 1 3 0 30 165.24 1 ↓

Analogs

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Popular Name: (2S,5R)-2-methyl-5-pyrazol-1-yl-piperidine (2S,5R)-2-methyl-5-pyrazol-1-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) 0.89 4.17 -41.43 2 3 1 34 166.248 1 ↓
Hi High (pH 8-9.5) 0.89 2.86 -4.38 1 3 0 30 165.24 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5R)-5-(3,5-dimethylpyrazol-1-yl)-2-methyl-piperidine (2S,5R)-5-(3,5-dimethylpyrazol-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) 1.34 5.78 -32.92 2 3 1 34 194.302 1 ↓
Hi High (pH 8-9.5) 1.34 4.48 -4.7 1 3 0 30 193.294 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-5-(3,5-dimethylpyrazol-1-yl)-2-methyl-piperidine (2S,5S)-5-(3,5-dimethylpyrazol-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) 1.34 5.09 -40.48 2 3 1 34 194.302 1 ↓
Hi High (pH 8-9.5) 1.34 3.82 -5.91 1 3 0 30 193.294 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-5-(3,5-dimethylpyrazol-1-yl)-2-methyl-piperidine (2R,5R)-5-(3,5-dimethylpyrazol-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) 1.34 5.09 -40.31 2 3 1 34 194.302 1 ↓
Hi High (pH 8-9.5) 1.34 3.82 -5.3 1 3 0 30 193.294 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-5-(3,5-dimethylpyrazol-1-yl)-2-methyl-piperidine (2R,5S)-5-(3,5-dimethylpyrazol-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) 1.34 5.77 -33.06 2 3 1 34 194.302 1 ↓
Hi High (pH 8-9.5) 1.34 4.58 -5.51 1 3 0 30 193.294 1 ↓

Analogs

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Popular Name: (2R,5S)-2-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]piperidine (2R,5S)-2-methyl-5-[3-(trifluoro…

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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 5.12 -48.38 2 3 1 34 234.245 2 ↓
Hi High (pH 8-9.5) 2.03 4.54 -5.44 1 3 0 30 233.237 2 ↓

Analogs

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Popular Name: (2S,5S)-2-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]piperidine (2S,5S)-2-methyl-5-[3-(trifluoro…

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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 4.78 -49.76 2 3 1 34 234.245 2 ↓
Hi High (pH 8-9.5) 2.03 3.48 -5.72 1 3 0 30 233.237 2 ↓

Analogs

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Popular Name: (2R,5R)-2-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]piperidine (2R,5R)-2-methyl-5-[3-(trifluoro…

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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 4.76 -49.81 2 3 1 34 234.245 2 ↓
Hi High (pH 8-9.5) 2.03 3.48 -5.86 1 3 0 30 233.237 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5R)-2-methyl-5-[3-(trifluoromethyl)pyrazol-1-yl]piperidine (2S,5R)-2-methyl-5-[3-(trifluoro…

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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 5.12 -48.47 2 3 1 34 234.245 2 ↓
Hi High (pH 8-9.5) 2.03 3.81 -6.07 1 3 0 30 233.237 2 ↓

Analogs

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Popular Name: [(1R)-1-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3-methylsulfanyl-propyl]urea [(1R)-1-[(3R)-3-(4-methylpyrazol…

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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) 0.35 4.35 -26.45 3 7 0 93 339.465 6 ↓

Analogs

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Popular Name: [(1R)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3-methylsulfanyl-propyl]urea [(1R)-1-[(3S)-3-(4-methylpyrazol…

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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) 0.35 4.34 -25.2 3 7 0 93 339.465 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3-methylsulfanyl-propyl]urea [(1S)-1-[(3R)-3-(4-methylpyrazol…

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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) 0.35 4.35 -25.19 3 7 0 93 339.465 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3-methylsulfanyl-propyl]urea [(1S)-1-[(3S)-3-(4-methylpyrazol…

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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) 0.35 4.34 -26.44 3 7 0 93 339.465 6 ↓

Analogs

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Popular Name: 1-[(3R)-3-(4-methylpyrazol-1-yl)-1-piperidyl]-3-(2,2,2-trifluoroethoxy)propan-1-one 1-[(3R)-3-(4-methylpyrazol-1-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) 1.68 6.29 -12.28 0 5 0 47 319.327 6 ↓

Analogs

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Popular Name: 1-[(3S)-3-(4-methylpyrazol-1-yl)-1-piperidyl]-3-(2,2,2-trifluoroethoxy)propan-1-one 1-[(3S)-3-(4-methylpyrazol-1-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) 1.68 6.29 -12.25 0 5 0 47 319.327 6 ↓

Analogs

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Popular Name: 1-[(3R)-3-pyrazol-1-yl-1-piperidyl]-2-(2,2,2-trifluoroethoxy)ethanone 1-[(3R)-3-pyrazol-1-yl-1-piperid…

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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 5.89 -19.55 0 5 0 47 291.273 5 ↓

Analogs

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Popular Name: 1-[(3S)-3-pyrazol-1-yl-1-piperidyl]-2-(2,2,2-trifluoroethoxy)ethanone 1-[(3S)-3-pyrazol-1-yl-1-piperid…

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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 5.89 -19.57 0 5 0 47 291.273 5 ↓

Analogs

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Popular Name: 1-[(3R)-3-(4-methylpyrazol-1-yl)-1-piperidyl]-3-(2,2,2-trifluoroethylamino)propan-1-one 1-[(3R)-3-(4-methylpyrazol-1-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) 1.14 4.95 -12.51 1 5 0 50 318.343 6 ↓
Mid Mid (pH 6-8) 1.14 6.34 -56.2 2 5 1 55 319.351 6 ↓

Analogs

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Popular Name: 1-[(3S)-3-(4-methylpyrazol-1-yl)-1-piperidyl]-3-(2,2,2-trifluoroethylamino)propan-1-one 1-[(3S)-3-(4-methylpyrazol-1-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) 1.14 4.95 -12.37 1 5 0 50 318.343 6 ↓
Mid Mid (pH 6-8) 1.14 6.33 -56.21 2 5 1 55 319.351 6 ↓

Analogs

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Popular Name: 3-methylsulfanyl-1-[(3S)-3-pyrazol-1-yl-1-piperidyl]propan-1-one 3-methylsulfanyl-1-[(3S)-3-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) 0.92 6.32 -11.25 0 4 0 38 253.371 4 ↓

Analogs

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Popular Name: 3-methylsulfanyl-1-[(3R)-3-pyrazol-1-yl-1-piperidyl]propan-1-one 3-methylsulfanyl-1-[(3R)-3-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) 0.92 6.34 -11.26 0 4 0 38 253.371 4 ↓

Analogs

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Popular Name: (3R)-3-(4-chloro-3-nitro-pyrazol-1-yl)piperidine (3R)-3-(4-chloro-3-nitro-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) 0.90 5.28 -55.15 2 6 1 80 231.663 2 ↓
Hi High (pH 8-9.5) 0.90 3.92 -8.35 1 6 0 76 230.655 2 ↓

Analogs

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Popular Name: (3S)-3-(4-chloro-3-nitro-pyrazol-1-yl)piperidine (3S)-3-(4-chloro-3-nitro-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) 0.90 5.28 -55.15 2 6 1 80 231.663 2 ↓
Hi High (pH 8-9.5) 0.90 3.92 -8.43 1 6 0 76 230.655 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-methyl-3-nitro-pyrazol-1-yl)piperidine (3R)-3-(4-methyl-3-nitro-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) 0.67 5.41 -54.42 2 6 1 80 211.245 2 ↓
Hi High (pH 8-9.5) 0.67 4.05 -9.85 1 6 0 76 210.237 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-methyl-3-nitro-pyrazol-1-yl)piperidine (3S)-3-(4-methyl-3-nitro-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) 0.67 5.41 -54.33 2 6 1 80 211.245 2 ↓
Hi High (pH 8-9.5) 0.67 4.04 -9.73 1 6 0 76 210.237 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)-1-piperidyl]-2-(2,2,2-trifluoroethoxy)ethanone 1-[(3R)-3-(3,5-dimethylpyrazol-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) 1.48 7.21 -18.72 0 5 0 47 319.327 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)-1-piperidyl]-2-(2,2,2-trifluoroethoxy)ethanone 1-[(3S)-3-(3,5-dimethylpyrazol-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) 1.48 7.21 -18.69 0 5 0 47 319.327 5 ↓

Parameters Provided:

ring.id = 316360
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 = 316360 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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