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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: [(3S)-3-ethyl-3-piperidyl]-[(2R)-2-methyl-1,4-oxazepan-4-yl]methanone [(3S)-3-ethyl-3-piperidyl]-[(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) 0.93 4.85 -44.23 2 4 1 46 255.382 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-ethyl-3-piperidyl]-[(2R)-2-methyl-1,4-oxazepan-4-yl]methanone [(3R)-3-ethyl-3-piperidyl]-[(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) 0.93 4.73 -46.09 2 4 1 46 255.382 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-ethyl-3-piperidyl]-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone [(3S)-3-ethyl-3-piperidyl]-[(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) 0.93 4.83 -46.95 2 4 1 46 255.382 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-ethyl-3-piperidyl]-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone [(3R)-3-ethyl-3-piperidyl]-[(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) 0.93 4.96 -43.68 2 4 1 46 255.382 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-methyl-1,4-oxazepan-4-yl]-[(3R)-3-methyl-3-piperidyl]methanone [(2R)-2-methyl-1,4-oxazepan-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) 0.60 4.35 -35.23 2 4 1 46 241.355 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-methyl-1,4-oxazepan-4-yl]-[(3R)-3-methyl-3-piperidyl]methanone [(2S)-2-methyl-1,4-oxazepan-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) 0.60 4.36 -35.65 2 4 1 46 241.355 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-methyl-1,4-oxazepan-4-yl]-[(3S)-3-methyl-3-piperidyl]methanone [(2R)-2-methyl-1,4-oxazepan-4-yl…

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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) 0.60 4.37 -35.27 2 4 1 46 241.355 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-methyl-1,4-oxazepan-4-yl]-[(3S)-3-methyl-3-piperidyl]methanone [(2S)-2-methyl-1,4-oxazepan-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) 0.60 4.54 -34.6 2 4 1 46 241.355 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-methyl-1,4-oxazepan-4-yl]-[(3S)-3-propyl-3-piperidyl]methanone [(2R)-2-methyl-1,4-oxazepan-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) 1.49 5.61 -44.43 2 4 1 46 269.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-methyl-1,4-oxazepan-4-yl]-[(3R)-3-propyl-3-piperidyl]methanone [(2R)-2-methyl-1,4-oxazepan-4-yl…

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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) 1.49 5.49 -46.35 2 4 1 46 269.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-methyl-1,4-oxazepan-4-yl]-[(3S)-3-propyl-3-piperidyl]methanone [(2S)-2-methyl-1,4-oxazepan-4-yl…

Find On: PubMed — Wikipedia — Google

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) 1.49 5.59 -47.23 2 4 1 46 269.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-methyl-1,4-oxazepan-4-yl]-[(3R)-3-propyl-3-piperidyl]methanone [(2S)-2-methyl-1,4-oxazepan-4-yl…

Find On: PubMed — Wikipedia — Google

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) 1.49 5.7 -43.98 2 4 1 46 269.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-ethyl-3-piperidyl]-(1,4-oxazepan-4-yl)methanone [(3S)-3-ethyl-3-piperidyl]-(1,4-…

Find On: PubMed — Wikipedia — Google

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) 0.57 3.86 -43.93 2 4 1 46 241.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-ethyl-3-piperidyl]-(1,4-oxazepan-4-yl)methanone [(3R)-3-ethyl-3-piperidyl]-(1,4-…

Find On: PubMed — Wikipedia — Google

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) 0.57 4.4 -42.95 2 4 1 46 241.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-methyl-3-piperidyl]-(1,4-oxazepan-4-yl)methanone [(3S)-3-methyl-3-piperidyl]-(1,4…

Find On: PubMed — Wikipedia — Google

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) 0.23 3.62 -35.52 2 4 1 46 227.328 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-methyl-3-piperidyl]-(1,4-oxazepan-4-yl)methanone [(3R)-3-methyl-3-piperidyl]-(1,4…

Find On: PubMed — Wikipedia — Google

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) 0.23 3.8 -34.66 2 4 1 46 227.328 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-oxazepan-4-yl-[(3S)-3-propyl-3-piperidyl]methanone 1,4-oxazepan-4-yl-[(3S)-3-propyl…

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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) 1.13 4.49 -44.08 2 4 1 46 255.382 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-oxazepan-4-yl-[(3R)-3-propyl-3-piperidyl]methanone 1,4-oxazepan-4-yl-[(3R)-3-propyl…

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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) 1.13 5.13 -43.12 2 4 1 46 255.382 3 ↓

Parameters Provided:

ring.id = 293338
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 = 293338 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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