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Analogs

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Popular Name: (S)-(1-methylpyrazol-4-yl)-[(2S)-2-piperidyl]methanol (S)-(1-methylpyrazol-4-yl)-[(2S)…

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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) 0.18 1.83 -37.93 3 4 1 55 196.274 2 ↓
Hi High (pH 8-9.5) 0.18 0.52 -5.63 2 4 0 50 195.266 2 ↓

Analogs

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Popular Name: (R)-(1-methylpyrazol-4-yl)-[(2S)-2-piperidyl]methanol (R)-(1-methylpyrazol-4-yl)-[(2S)…

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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) 0.18 1.46 -41.36 3 4 1 55 196.274 2 ↓
Hi High (pH 8-9.5) 0.18 0.23 -5.94 2 4 0 50 195.266 2 ↓

Analogs

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Popular Name: (S)-(1-methylpyrazol-4-yl)-[(2R)-2-piperidyl]methanol (S)-(1-methylpyrazol-4-yl)-[(2R)…

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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) 0.18 1.4 -41.17 3 4 1 55 196.274 2 ↓
Hi High (pH 8-9.5) 0.18 0.35 -6.41 2 4 0 50 195.266 2 ↓

Analogs

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Popular Name: (R)-(1-methylpyrazol-4-yl)-[(2R)-2-piperidyl]methanol (R)-(1-methylpyrazol-4-yl)-[(2R)…

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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) 0.18 1.83 -37.74 3 4 1 55 196.274 2 ↓
Hi High (pH 8-9.5) 0.18 0.88 -6.25 2 4 0 50 195.266 2 ↓

Analogs

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Popular Name: (R)-[(2S,4R)-4-methyl-2-piperidyl]-(1-methylpyrazol-4-yl)methanol (R)-[(2S,4R)-4-methyl-2-piperidy…

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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) 0.42 2.09 -41.37 3 4 1 55 210.301 2 ↓

Analogs

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Popular Name: (R)-[(2S,4S)-4-methyl-2-piperidyl]-(1-methylpyrazol-4-yl)methanol (R)-[(2S,4S)-4-methyl-2-piperidy…

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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) 0.42 1.85 -41 3 4 1 55 210.301 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(2R,4R)-4-methyl-2-piperidyl]-(1-methylpyrazol-4-yl)methanol (R)-[(2R,4R)-4-methyl-2-piperidy…

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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) 0.42 2.21 -37.9 3 4 1 55 210.301 2 ↓

Analogs

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Popular Name: (R)-[(2R,4S)-4-methyl-2-piperidyl]-(1-methylpyrazol-4-yl)methanol (R)-[(2R,4S)-4-methyl-2-piperidy…

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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) 0.42 2.43 -38.51 3 4 1 55 210.301 2 ↓

Analogs

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Popular Name: (R)-[(2S,4R)-4-ethyl-2-piperidyl]-(1-methylpyrazol-4-yl)methanol (R)-[(2S,4R)-4-ethyl-2-piperidyl…

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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) 1.11 2.75 -41.83 3 4 1 55 224.328 3 ↓

Analogs

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Popular Name: (R)-[(2S,4S)-4-ethyl-2-piperidyl]-(1-methylpyrazol-4-yl)methanol (R)-[(2S,4S)-4-ethyl-2-piperidyl…

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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) 1.11 2.47 -41.67 3 4 1 55 224.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(2R,4R)-4-ethyl-2-piperidyl]-(1-methylpyrazol-4-yl)methanol (R)-[(2R,4R)-4-ethyl-2-piperidyl…

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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) 1.11 2.82 -38.63 3 4 1 55 224.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(2R,4S)-4-ethyl-2-piperidyl]-(1-methylpyrazol-4-yl)methanol (R)-[(2R,4S)-4-ethyl-2-piperidyl…

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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) 1.11 3.09 -38.99 3 4 1 55 224.328 3 ↓

Analogs

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Popular Name: (2S,4R)-4-methyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine (2S,4R)-4-methyl-2-[(1-methylpyr…

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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) 1.42 5.3 -36.67 2 3 1 34 194.302 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-methyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine (2S,4S)-4-methyl-2-[(1-methylpyr…

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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) 1.42 5.08 -36.34 2 3 1 34 194.302 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-methyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine (2R,4R)-4-methyl-2-[(1-methylpyr…

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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) 1.42 5.08 -39.29 2 3 1 34 194.302 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-methyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine (2R,4S)-4-methyl-2-[(1-methylpyr…

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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) 1.42 5.3 -39.56 2 3 1 34 194.302 2 ↓

Analogs

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Popular Name: (2S,4R)-2-[(1-ethylpyrazol-4-yl)methyl]-4-methyl-piperidine (2S,4R)-2-[(1-ethylpyrazol-4-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) 1.79 6.16 -36.4 2 3 1 34 208.329 3 ↓

Analogs

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Popular Name: (2R,4R)-2-[(1-ethylpyrazol-4-yl)methyl]-4-methyl-piperidine (2R,4R)-2-[(1-ethylpyrazol-4-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) 1.79 5.94 -39.47 2 3 1 34 208.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-[(1-ethylpyrazol-4-yl)methyl]-4-methyl-piperidine (2S,4S)-2-[(1-ethylpyrazol-4-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) 1.79 5.94 -36.11 2 3 1 34 208.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-[(1-ethylpyrazol-4-yl)methyl]-4-methyl-piperidine (2R,4S)-2-[(1-ethylpyrazol-4-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) 1.79 6.17 -39.67 2 3 1 34 208.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-ethyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine (2S,4R)-4-ethyl-2-[(1-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) 2.10 5.96 -37.16 2 3 1 34 208.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-ethyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine (2S,4S)-4-ethyl-2-[(1-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) 2.10 5.6 -37.43 2 3 1 34 208.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-ethyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine (2R,4R)-4-ethyl-2-[(1-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) 2.10 5.7 -39.96 2 3 1 34 208.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-ethyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine (2R,4S)-4-ethyl-2-[(1-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) 2.10 5.96 -40.02 2 3 1 34 208.329 3 ↓

Analogs

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Popular Name: (2S,4R)-4-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]piperidine (2S,4R)-4-ethyl-2-[(1-ethylpyraz…

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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) 2.48 6.82 -36.92 2 3 1 34 222.356 4 ↓

Analogs

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Popular Name: (2S,4S)-4-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]piperidine (2S,4S)-4-ethyl-2-[(1-ethylpyraz…

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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) 2.48 6.47 -37.27 2 3 1 34 222.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]piperidine (2R,4R)-4-ethyl-2-[(1-ethylpyraz…

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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) 2.48 6.56 -40.15 2 3 1 34 222.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]piperidine (2R,4S)-4-ethyl-2-[(1-ethylpyraz…

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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) 2.48 6.83 -40.21 2 3 1 34 222.356 4 ↓

Parameters Provided:

ring.id = 477650
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 477650 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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