UCSF
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Analogs

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Popular Name: 5-iodo-2-[[(2R)-2-methyl-1,4-oxazepane-4-carbonyl]amino]benzoic 5-iodo-2-[[(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) 3.27 8.2 -42.52 1 6 -1 82 403.196 2 ↓

Analogs

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Popular Name: 5-iodo-2-[[(2S)-2-methyl-1,4-oxazepane-4-carbonyl]amino]benzoic 5-iodo-2-[[(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) 3.27 8.11 -43.19 1 6 -1 82 403.196 2 ↓

Analogs

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Popular Name: 5-iodo-2-(1,4-oxazepane-4-carbonylamino)benzoic 5-iodo-2-(1,4-oxazepane-4-carbon…

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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) 2.91 7.41 -42.58 1 6 -1 82 389.169 2 ↓

Analogs

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Popular Name: 3,5-dibromo-2-(1,4-oxazepane-4-carbonylamino)benzoic 3,5-dibromo-2-(1,4-oxazepane-4-c…

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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) 3.37 7.29 -42.16 1 6 -1 82 421.065 2 ↓

Analogs

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Popular Name: 3,5-dimethyl-2-(1,4-oxazepane-4-carbonylamino)benzoic 3,5-dimethyl-2-(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) 1.72 7.51 -50.83 1 6 -1 82 291.327 2 ↓

Analogs

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Popular Name: 3-bromo-2-[[(2R)-2-methyl-1,4-oxazepane-4-carbonyl]amino]benzoic 3-bromo-2-[[(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) 2.97 7.63 -46.04 1 6 -1 82 356.196 2 ↓

Analogs

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Popular Name: 3-bromo-2-[[(2S)-2-methyl-1,4-oxazepane-4-carbonyl]amino]benzoic 3-bromo-2-[[(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) 2.97 7.42 -46.09 1 6 -1 82 356.196 2 ↓

Analogs

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Popular Name: 3-bromo-2-(1,4-oxazepane-4-carbonylamino)benzoic 3-bromo-2-(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) 2.61 7.18 -53.73 1 6 -1 82 342.169 2 ↓

Analogs

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Popular Name: 3-fluoro-4-[[(2R)-2-methyl-1,4-oxazepane-4-carbonyl]amino]benzoic 3-fluoro-4-[[(2R)-2-methyl-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) 2.17 6.82 -48.36 1 6 -1 82 295.29 2 ↓

Analogs

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Popular Name: 3-fluoro-4-[[(2S)-2-methyl-1,4-oxazepane-4-carbonyl]amino]benzoic 3-fluoro-4-[[(2S)-2-methyl-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) 2.17 6.81 -48.16 1 6 -1 82 295.29 2 ↓

Analogs

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Popular Name: 3-fluoro-4-(1,4-oxazepane-4-carbonylamino)benzoic 3-fluoro-4-(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) 1.81 6.08 -48.68 1 6 -1 82 281.263 2 ↓

Parameters Provided:

ring.id = 282753
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 = 282753 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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