UCSF
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Analogs

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Popular Name: [2-(isopropylamino)phenyl]-[(2R)-2-methyl-1,4-oxazepan-4-yl]methanone [2-(isopropylamino)phenyl]-[(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) 2.53 6.79 -7.51 1 4 0 42 276.38 3 ↓

Analogs

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Popular Name: [2-(isopropylamino)phenyl]-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone [2-(isopropylamino)phenyl]-[(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) 2.53 6.85 -7.26 1 4 0 42 276.38 3 ↓

Analogs

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Popular Name: [2-(isopropylamino)phenyl]-(1,4-oxazepan-4-yl)methanone [2-(isopropylamino)phenyl]-(1,4-…

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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) 2.17 5.98 -7.29 1 4 0 42 262.353 3 ↓

Analogs

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Popular Name: (2-amino-4-fluoro-phenyl)-[(2R)-2-methyl-1,4-oxazepan-4-yl]methanone (2-amino-4-fluoro-phenyl)-[(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) 0.96 4.37 -6.83 2 4 0 56 252.289 1 ↓

Analogs

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Popular Name: (2-amino-4-fluoro-phenyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone (2-amino-4-fluoro-phenyl)-[(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) 0.96 4.41 -6.69 2 4 0 56 252.289 1 ↓

Analogs

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Popular Name: (2-amino-4-fluoro-phenyl)-(1,4-oxazepan-4-yl)methanone (2-amino-4-fluoro-phenyl)-(1,4-o…

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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 3.62 -6.74 2 4 0 56 238.262 1 ↓

Analogs

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Popular Name: [4-(ethylamino)-3,5-difluoro-phenyl]-[(2R)-2-methyl-1,4-oxazepan-4-yl]methanone [4-(ethylamino)-3,5-difluoro-phe…

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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) 1.80 5.89 -7.25 1 4 0 42 298.333 3 ↓

Analogs

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Popular Name: [4-(ethylamino)-3,5-difluoro-phenyl]-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone [4-(ethylamino)-3,5-difluoro-phe…

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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) 1.80 5.93 -7.14 1 4 0 42 298.333 3 ↓

Analogs

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Popular Name: (4-amino-3,5-difluoro-phenyl)-[(2R)-2-methyl-1,4-oxazepan-4-yl]methanone (4-amino-3,5-difluoro-phenyl)-[(…

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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) 1.05 4.31 -7.43 2 4 0 56 270.279 1 ↓

Analogs

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Popular Name: (4-amino-3,5-difluoro-phenyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone (4-amino-3,5-difluoro-phenyl)-[(…

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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) 1.05 4.28 -7.6 2 4 0 56 270.279 1 ↓

Analogs

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Popular Name: [3,5-difluoro-4-(methylamino)phenyl]-[(2R)-2-methyl-1,4-oxazepan-4-yl]methanone [3,5-difluoro-4-(methylamino)phe…

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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) 1.43 5.12 -7.42 1 4 0 42 284.306 2 ↓

Analogs

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Popular Name: [3,5-difluoro-4-(methylamino)phenyl]-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone [3,5-difluoro-4-(methylamino)phe…

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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) 1.43 5.09 -7.57 1 4 0 42 284.306 2 ↓

Analogs

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Popular Name: [4-(ethylamino)-3,5-difluoro-phenyl]-(1,4-oxazepan-4-yl)methanone [4-(ethylamino)-3,5-difluoro-phe…

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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) 1.44 5.15 -7.26 1 4 0 42 284.306 3 ↓

Analogs

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Popular Name: [3,5-difluoro-4-(propylamino)phenyl]-(1,4-oxazepan-4-yl)methanone [3,5-difluoro-4-(propylamino)phe…

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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) 1.94 5.91 -7.15 1 4 0 42 298.333 4 ↓

Analogs

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Popular Name: (4-amino-3,5-difluoro-phenyl)-(1,4-oxazepan-4-yl)methanone (4-amino-3,5-difluoro-phenyl)-(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) 0.69 3.54 -7.62 2 4 0 56 256.252 1 ↓

Analogs

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Popular Name: [3,5-difluoro-4-(methylamino)phenyl]-(1,4-oxazepan-4-yl)methanone [3,5-difluoro-4-(methylamino)phe…

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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) 1.06 4.35 -7.57 1 4 0 42 270.279 2 ↓

Analogs

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Popular Name: (3,5-difluoro-4-hydrazino-phenyl)-[(2R)-2-methyl-1,4-oxazepan-4-yl]methanone (3,5-difluoro-4-hydrazino-phenyl…

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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) 0.81 4.13 -8.33 3 5 0 68 285.294 2 ↓

Analogs

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Popular Name: (3,5-difluoro-4-hydrazino-phenyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone (3,5-difluoro-4-hydrazino-phenyl…

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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) 0.81 4.1 -8.3 3 5 0 68 285.294 2 ↓

Analogs

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Popular Name: (3,5-difluoro-4-hydrazino-phenyl)-(1,4-oxazepan-4-yl)methanone (3,5-difluoro-4-hydrazino-phenyl…

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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) 0.45 3.33 -8.52 3 5 0 68 271.267 2 ↓

Analogs

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Popular Name: [(2R)-2-methyl-1,4-oxazepan-4-yl]-(3,4,5-trifluorophenyl)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) 1.73 6.44 -7.16 0 3 0 30 273.254 1 ↓

Analogs

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Popular Name: [(2S)-2-methyl-1,4-oxazepan-4-yl]-(3,4,5-trifluorophenyl)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) 1.73 6.4 -7.31 0 3 0 30 273.254 1 ↓

Analogs

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Popular Name: 1,4-oxazepan-4-yl-(3,4,5-trifluorophenyl)methanone 1,4-oxazepan-4-yl-(3,4,5-trifluo…

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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) 1.37 5.66 -7.4 0 3 0 30 259.227 1 ↓

Analogs

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Popular Name: (2-chloro-4-nitro-phenyl)-(1,4-oxazepan-4-yl)methanone (2-chloro-4-nitro-phenyl)-(1,4-o…

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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) 1.59 6.75 -10.41 0 6 0 75 284.699 2 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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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 = 281192 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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