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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (3R)-1-methyl-3-[(2S)-2-piperidyl]pyrrolidin-3-ol (3R)-1-methyl-3-[(2S)-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) 0.58 2.15 -95.27 4 3 2 41 186.299 1 ↓
Mid Mid (pH 6-8) 0.58 -0.46 -33.46 3 3 1 40 185.291 1 ↓

Analogs

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Popular Name: (3S)-1-methyl-3-[(2S)-2-piperidyl]pyrrolidin-3-ol (3S)-1-methyl-3-[(2S)-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) 0.58 2.27 -98.43 4 3 2 41 186.299 1 ↓
Mid Mid (pH 6-8) 0.58 -0.45 -32.99 3 3 1 40 185.291 1 ↓

Analogs

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Popular Name: (3S)-3-[(2S)-2-piperidyl]pyrrolidin-3-ol (3S)-3-[(2S)-2-piperidyl]pyrroli…

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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) 0.34 0.05 -103.91 5 3 2 53 172.272 1 ↓

Analogs

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Popular Name: (3S)-3-[(2R)-2-piperidyl]pyrrolidin-3-ol (3S)-3-[(2R)-2-piperidyl]pyrroli…

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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) 0.34 -0.01 -99.41 5 3 2 53 172.272 1 ↓

Analogs

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Popular Name: (3R)-3-[(2S)-2-piperidyl]pyrrolidin-3-ol (3R)-3-[(2S)-2-piperidyl]pyrroli…

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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) 0.34 0.02 -98.07 5 3 2 53 172.272 1 ↓

Analogs

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Popular Name: (3R)-3-[(2R)-2-piperidyl]pyrrolidin-3-ol (3R)-3-[(2R)-2-piperidyl]pyrroli…

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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) 0.34 0.08 -104.06 5 3 2 53 172.272 1 ↓

Analogs

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Popular Name: (3S)-1-methyl-3-[(2S,4R)-4-methyl-2-piperidyl]pyrrolidin-3-ol (3S)-1-methyl-3-[(2S,4R)-4-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) 0.82 2.79 -100.57 4 3 2 41 200.326 1 ↓
Mid Mid (pH 6-8) 0.82 0.25 -34 3 3 1 40 199.318 1 ↓

Analogs

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Popular Name: (3S)-1-methyl-3-[(2S,4S)-4-methyl-2-piperidyl]pyrrolidin-3-ol (3S)-1-methyl-3-[(2S,4S)-4-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) 0.82 2.62 -100.01 4 3 2 41 200.326 1 ↓
Mid Mid (pH 6-8) 0.82 -0.02 -32.57 3 3 1 40 199.318 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-methyl-3-[(2R,4R)-4-methyl-2-piperidyl]pyrrolidin-3-ol (3S)-1-methyl-3-[(2R,4R)-4-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) 0.82 2.57 -96.26 4 3 2 41 200.326 1 ↓
Mid Mid (pH 6-8) 0.82 -0.06 -33.7 3 3 1 40 199.318 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-methyl-3-[(2R,4S)-4-methyl-2-piperidyl]pyrrolidin-3-ol (3S)-1-methyl-3-[(2R,4S)-4-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) 0.82 2.78 -97.38 4 3 2 41 200.326 1 ↓
Mid Mid (pH 6-8) 0.82 0.17 -34.39 3 3 1 40 199.318 1 ↓

Analogs

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Popular Name: (3S)-3-[(2S,4R)-4-ethyl-2-piperidyl]-1-methyl-pyrrolidin-3-ol (3S)-3-[(2S,4R)-4-ethyl-2-piperi…

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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 3.44 -101.33 4 3 2 41 214.353 2 ↓
Mid Mid (pH 6-8) 1.51 0.92 -34.38 3 3 1 40 213.345 2 ↓

Analogs

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Popular Name: (3S)-3-[(2S,4S)-4-ethyl-2-piperidyl]-1-methyl-pyrrolidin-3-ol (3S)-3-[(2S,4S)-4-ethyl-2-piperi…

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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 3.18 -101.11 4 3 2 41 214.353 2 ↓
Mid Mid (pH 6-8) 1.51 0.64 -33.85 3 3 1 40 213.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(2R,4R)-4-ethyl-2-piperidyl]-1-methyl-pyrrolidin-3-ol (3S)-3-[(2R,4R)-4-ethyl-2-piperi…

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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 3.19 -97.82 4 3 2 41 214.353 2 ↓
Mid Mid (pH 6-8) 1.51 0.56 -34.4 3 3 1 40 213.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(2R,4S)-4-ethyl-2-piperidyl]-1-methyl-pyrrolidin-3-ol (3S)-3-[(2R,4S)-4-ethyl-2-piperi…

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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 3.44 -96.88 4 3 2 41 214.353 2 ↓
Mid Mid (pH 6-8) 1.51 0.92 -35.42 3 3 1 40 213.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(2S,4R)-4-methyl-2-piperidyl]pyrrolidin-3-ol (3S)-3-[(2S,4R)-4-methyl-2-piper…

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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) 0.58 0.66 -105.7 5 3 2 53 186.299 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(2S,4S)-4-methyl-2-piperidyl]pyrrolidin-3-ol (3S)-3-[(2S,4S)-4-methyl-2-piper…

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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) 0.58 0.44 -104.82 5 3 2 53 186.299 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(2R,4R)-4-methyl-2-piperidyl]pyrrolidin-3-ol (3S)-3-[(2R,4R)-4-methyl-2-piper…

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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) 0.58 0.38 -100.12 5 3 2 53 186.299 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(2R,4S)-4-methyl-2-piperidyl]pyrrolidin-3-ol (3S)-3-[(2R,4S)-4-methyl-2-piper…

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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) 0.58 0.6 -101.18 5 3 2 53 186.299 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(2S,4R)-4-ethyl-2-piperidyl]pyrrolidin-3-ol (3S)-3-[(2S,4R)-4-ethyl-2-piperi…

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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) 1.26 1.32 -106.44 5 3 2 53 200.326 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(2S,4S)-4-ethyl-2-piperidyl]pyrrolidin-3-ol (3S)-3-[(2S,4S)-4-ethyl-2-piperi…

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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) 1.26 1.06 -106.23 5 3 2 53 200.326 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(2R,4R)-4-ethyl-2-piperidyl]pyrrolidin-3-ol (3S)-3-[(2R,4R)-4-ethyl-2-piperi…

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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) 1.26 1.01 -101.67 5 3 2 53 200.326 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(2R,4S)-4-ethyl-2-piperidyl]pyrrolidin-3-ol (3S)-3-[(2R,4S)-4-ethyl-2-piperi…

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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) 1.26 1.25 -102.06 5 3 2 53 200.326 2 ↓

Parameters Provided:

ring.id = 477480
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 = 477480 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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