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

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2S)-2-piperidyl]tetrahydrofuran-3-ol (3R)-3-[(2S)-2-piperidyl]tetrahy…

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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) 0.54 -0.08 -35.12 3 3 1 46 172.248 1 ↓
Hi High (pH 8-9.5) 0.54 -1.25 -2.48 2 3 0 41 171.24 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2R)-2-piperidyl]tetrahydrofuran-3-ol (3R)-3-[(2R)-2-piperidyl]tetrahy…

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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) 0.54 0.01 -36.28 3 3 1 46 172.248 1 ↓
Hi High (pH 8-9.5) 0.54 -1.31 -3.54 2 3 0 41 171.24 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(2S)-2-piperidyl]tetrahydrofuran-3-ol (3S)-3-[(2S)-2-piperidyl]tetrahy…

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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) 0.54 -0.03 -36.04 3 3 1 46 172.248 1 ↓
Hi High (pH 8-9.5) 0.54 -1.18 -2.19 2 3 0 41 171.24 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(2R)-2-piperidyl]tetrahydrofuran-3-ol (3S)-3-[(2R)-2-piperidyl]tetrahy…

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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) 0.54 -0.05 -35.37 3 3 1 46 172.248 1 ↓
Hi High (pH 8-9.5) 0.54 -1.36 -3.5 2 3 0 41 171.24 1 ↓

Analogs

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Popular Name: (3R)-3-[(2S,4R)-4-methyl-2-piperidyl]tetrahydrofuran-3-ol (3R)-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) 0.78 0.54 -35.99 3 3 1 46 186.275 1 ↓

Analogs

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Popular Name: (3R)-3-[(2S,4S)-4-methyl-2-piperidyl]tetrahydrofuran-3-ol (3R)-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) 0.78 0.31 -35.18 3 3 1 46 186.275 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2R,4R)-4-methyl-2-piperidyl]tetrahydrofuran-3-ol (3R)-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) 0.78 0.41 -36.34 3 3 1 46 186.275 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2R,4S)-4-methyl-2-piperidyl]tetrahydrofuran-3-ol (3R)-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) 0.78 0.61 -37.1 3 3 1 46 186.275 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2S,4R)-4-ethyl-2-piperidyl]tetrahydrofuran-3-ol (3R)-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) 1.46 1.19 -36.44 3 3 1 46 200.302 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2S,4S)-4-ethyl-2-piperidyl]tetrahydrofuran-3-ol (3R)-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) 1.46 0.93 -35.83 3 3 1 46 200.302 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2R,4R)-4-ethyl-2-piperidyl]tetrahydrofuran-3-ol (3R)-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) 1.46 1.03 -37.01 3 3 1 46 200.302 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2R,4S)-4-ethyl-2-piperidyl]tetrahydrofuran-3-ol (3R)-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) 1.46 1.27 -37.54 3 3 1 46 200.302 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-methyl-2-[(3S)-tetrahydrofuran-3-yl]piperidine (2S,4R)-4-methyl-2-[(3S)-tetrahy…

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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) 1.72 3.98 -34.48 2 2 1 26 170.276 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-methyl-2-[(3S)-tetrahydrofuran-3-yl]piperidine (2S,4S)-4-methyl-2-[(3S)-tetrahy…

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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) 1.72 3.75 -33.79 2 2 1 26 170.276 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-methyl-2-[(3S)-tetrahydrofuran-3-yl]piperidine (2R,4R)-4-methyl-2-[(3S)-tetrahy…

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Activity (Go SEA)

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) 1.72 3.5 -38.63 2 2 1 26 170.276 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-methyl-2-[(3S)-tetrahydrofuran-3-yl]piperidine (2R,4S)-4-methyl-2-[(3S)-tetrahy…

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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) 1.72 3.72 -38.97 2 2 1 26 170.276 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-ethyl-2-[(3S)-tetrahydrofuran-3-yl]piperidine (2S,4R)-4-ethyl-2-[(3S)-tetrahyd…

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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) 2.41 4.64 -34.96 2 2 1 26 184.303 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-ethyl-2-[(3S)-tetrahydrofuran-3-yl]piperidine (2S,4S)-4-ethyl-2-[(3S)-tetrahyd…

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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) 2.41 4.37 -34.56 2 2 1 26 184.303 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-ethyl-2-[(3S)-tetrahydrofuran-3-yl]piperidine (2R,4R)-4-ethyl-2-[(3S)-tetrahyd…

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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) 2.41 4.11 -39.35 2 2 1 26 184.303 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-ethyl-2-[(3S)-tetrahydrofuran-3-yl]piperidine (2R,4S)-4-ethyl-2-[(3S)-tetrahyd…

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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) 2.41 4.38 -39.53 2 2 1 26 184.303 2 ↓

Parameters Provided:

ring.id = 477536
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 = 477536 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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