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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: 4-methyl-1-[(2R)-2-methyl-1,4-oxazepane-4-carbonyl]piperidine-4-carboxylic 4-methyl-1-[(2R)-2-methyl-1,4-ox…

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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) 0.98 6.34 -52.48 0 6 -1 73 283.348 1 ↓

Analogs

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Popular Name: 4-methyl-1-[(2S)-2-methyl-1,4-oxazepane-4-carbonyl]piperidine-4-carboxylic 4-methyl-1-[(2S)-2-methyl-1,4-ox…

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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) 0.98 6.24 -52.36 0 6 -1 73 283.348 1 ↓

Analogs

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Popular Name: 4-methyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic 4-methyl-1-(1,4-oxazepane-4-carb…

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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) 0.62 5.65 -53.14 0 6 -1 73 269.321 1 ↓

Analogs

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Popular Name: 4-ethyl-1-[(2R)-2-methyl-1,4-oxazepane-4-carbonyl]piperidine-4-carboxylic 4-ethyl-1-[(2R)-2-methyl-1,4-oxa…

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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) 1.31 6.72 -52.08 0 6 -1 73 297.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[(2S)-2-methyl-1,4-oxazepane-4-carbonyl]piperidine-4-carboxylic 4-ethyl-1-[(2S)-2-methyl-1,4-oxa…

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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) 1.31 6.88 -52.64 0 6 -1 73 297.375 2 ↓

Analogs

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Popular Name: 1-(1,4-oxazepane-4-carbonyl)-4-propyl-piperidine-4-carboxylic 1-(1,4-oxazepane-4-carbonyl)-4-p…

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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 6.9 -52.96 0 6 -1 73 297.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic 4-ethyl-1-(1,4-oxazepane-4-carbo…

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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) 0.95 6.09 -52.43 0 6 -1 73 283.348 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[(2R)-2-methyl-1,4-oxazepane-4-carbonyl]piperidine-3-carboxylic (3R)-3-methyl-1-[(2R)-2-methyl-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) 0.98 6.68 -43.78 0 6 -1 73 283.348 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[(2S)-2-methyl-1,4-oxazepane-4-carbonyl]piperidine-3-carboxylic (3R)-3-methyl-1-[(2S)-2-methyl-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) 0.98 6.7 -53.48 0 6 -1 73 283.348 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[(2R)-2-methyl-1,4-oxazepane-4-carbonyl]piperidine-3-carboxylic (3S)-3-methyl-1-[(2R)-2-methyl-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) 0.98 6.86 -53.14 0 6 -1 73 283.348 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[(2S)-2-methyl-1,4-oxazepane-4-carbonyl]piperidine-3-carboxylic (3S)-3-methyl-1-[(2S)-2-methyl-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) 0.98 6.62 -43.17 0 6 -1 73 283.348 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[(2R)-2-methyl-1,4-oxazepane-4-carbonyl]piperidine-3-carboxylic (3S)-3-ethyl-1-[(2R)-2-methyl-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) 1.31 7.17 -50.97 0 6 -1 73 297.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[(2R)-2-methyl-1,4-oxazepane-4-carbonyl]piperidine-3-carboxylic (3R)-3-ethyl-1-[(2R)-2-methyl-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) 1.31 7.19 -51.92 0 6 -1 73 297.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[(2S)-2-methyl-1,4-oxazepane-4-carbonyl]piperidine-3-carboxylic (3S)-3-ethyl-1-[(2S)-2-methyl-1,…

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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) 1.31 7.26 -51.6 0 6 -1 73 297.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[(2S)-2-methyl-1,4-oxazepane-4-carbonyl]piperidine-3-carboxylic (3R)-3-ethyl-1-[(2S)-2-methyl-1,…

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) 1.31 7.34 -50.78 0 6 -1 73 297.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(1,4-oxazepane-4-carbonyl)piperidine-3-carboxylic (3S)-3-methyl-1-(1,4-oxazepane-4…

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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) 0.62 6.09 -54.16 0 6 -1 73 269.321 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(1,4-oxazepane-4-carbonyl)piperidine-3-carboxylic (3R)-3-methyl-1-(1,4-oxazepane-4…

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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) 0.62 6.09 -44.11 0 6 -1 73 269.321 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-3-carboxylic (3S)-3-ethyl-1-(1,4-oxazepane-4-…

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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) 0.95 6.53 -51.67 0 6 -1 73 283.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-3-carboxylic (3R)-3-ethyl-1-(1,4-oxazepane-4-…

Find On: PubMed — Wikipedia — Google

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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) 0.95 6.59 -52.62 0 6 -1 73 283.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1,4-oxazepane-4-carbonyl)-3-propyl-piperidine-3-carboxylic (3S)-1-(1,4-oxazepane-4-carbonyl…

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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 7.3 -52 0 6 -1 73 297.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1,4-oxazepane-4-carbonyl)-3-propyl-piperidine-3-carboxylic (3R)-1-(1,4-oxazepane-4-carbonyl…

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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 7.34 -53.23 0 6 -1 73 297.375 3 ↓

Parameters Provided:

ring.id = 288661
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 = 288661 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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