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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: [(2R)-2-methyl-1,4-oxazepan-4-yl]-[(2S)-piperazin-2-yl]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) -0.79 0.72 -49.87 3 5 1 58 228.316 1 ↓
Hi High (pH 8-9.5) -0.79 -0.63 -7.82 2 5 0 54 227.308 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-methyl-1,4-oxazepan-4-yl]-[(2S)-piperazin-2-yl]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) -0.79 0.76 -50.2 3 5 1 58 228.316 1 ↓
Hi High (pH 8-9.5) -0.79 -0.58 -7.83 2 5 0 54 227.308 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-methyl-1,4-oxazepan-4-yl]-[(2R)-piperazin-2-yl]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) -0.79 0.73 -50.13 3 5 1 58 228.316 1 ↓
Hi High (pH 8-9.5) -0.79 -0.63 -7.93 2 5 0 54 227.308 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-methyl-1,4-oxazepan-4-yl]-[(2R)-piperazin-2-yl]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) -0.79 0.66 -50.19 3 5 1 58 228.316 1 ↓
Hi High (pH 8-9.5) -0.79 -0.69 -7.75 2 5 0 54 227.308 1 ↓

Analogs

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Popular Name: 1,4-oxazepan-4-yl-[(2S)-piperazin-2-yl]methanone 1,4-oxazepan-4-yl-[(2S)-piperazi…

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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) -1.15 -0.48 -46.62 3 5 1 58 214.289 1 ↓
Hi High (pH 8-9.5) -1.15 -1.83 -8.96 2 5 0 54 213.281 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-oxazepan-4-yl-[(2R)-piperazin-2-yl]methanone 1,4-oxazepan-4-yl-[(2R)-piperazi…

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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) -1.15 -0.51 -49.17 3 5 1 58 214.289 1 ↓
Hi High (pH 8-9.5) -1.15 -1.87 -9.11 2 5 0 54 213.281 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-methyl-1,4-oxazepan-4-yl]-[(2S,5R)-5-methylpiperazin-2-yl]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) -0.11 1.17 -39.27 3 5 1 58 242.343 1 ↓
Hi High (pH 8-9.5) -0.11 -0.02 -7.5 2 5 0 54 241.335 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-methyl-1,4-oxazepan-4-yl]-[(2S,5S)-5-methylpiperazin-2-yl]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) -0.11 1.33 -47.61 3 5 1 58 242.343 1 ↓
Hi High (pH 8-9.5) -0.11 0.06 -7.52 2 5 0 54 241.335 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-methyl-1,4-oxazepan-4-yl]-[(2R,5R)-5-methylpiperazin-2-yl]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) -0.11 1.42 -47.63 3 5 1 58 242.343 1 ↓
Hi High (pH 8-9.5) -0.11 0.18 -7.67 2 5 0 54 241.335 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-methyl-1,4-oxazepan-4-yl]-[(2R,5S)-5-methylpiperazin-2-yl]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) -0.11 1.18 -43.81 3 5 1 58 242.343 1 ↓
Hi High (pH 8-9.5) -0.11 -0.1 -7.8 2 5 0 54 241.335 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5R)-5-methylpiperazin-2-yl]-(1,4-oxazepan-4-yl)methanone [(2S,5R)-5-methylpiperazin-2-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) -0.47 0.43 -38.42 3 5 1 58 228.316 1 ↓
Hi High (pH 8-9.5) -0.47 -0.76 -7.07 2 5 0 54 227.308 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5S)-5-methylpiperazin-2-yl]-(1,4-oxazepan-4-yl)methanone [(2S,5S)-5-methylpiperazin-2-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) -0.47 0.58 -46.6 3 5 1 58 228.316 1 ↓
Hi High (pH 8-9.5) -0.47 -0.7 -7.38 2 5 0 54 227.308 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5R)-5-methylpiperazin-2-yl]-(1,4-oxazepan-4-yl)methanone [(2R,5R)-5-methylpiperazin-2-yl]…

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) -0.47 0.68 -47.5 3 5 1 58 228.316 1 ↓
Hi High (pH 8-9.5) -0.47 -0.57 -7.67 2 5 0 54 227.308 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5S)-5-methylpiperazin-2-yl]-(1,4-oxazepan-4-yl)methanone [(2R,5S)-5-methylpiperazin-2-yl]…

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) -0.47 0.56 -37.72 3 5 1 58 228.316 1 ↓
Hi High (pH 8-9.5) -0.47 -0.55 -6.02 2 5 0 54 227.308 1 ↓

Parameters Provided:

ring.id = 279311
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 = 279311 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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