UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(3,4-dichlorophenyl)-3-(5-methyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)urea 1-(3,4-dichlorophenyl)-3-(5-meth…

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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) 5.46 9.1 -15.64 2 6 0 76 428.275 2 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-3-(5-methyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)urea 1-(4-chlorophenyl)-3-(5-methyl-6…

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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) 4.85 8.6 -14 2 6 0 76 393.83 2 ↓

Analogs

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Popular Name: 1-(3-methoxyphenyl)-3-(5-methyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)urea 1-(3-methoxyphenyl)-3-(5-methyl-…

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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) 4.21 7.42 -17.11 2 7 0 86 389.411 3 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-(5-methyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)urea 1-(3-chlorophenyl)-3-(5-methyl-6…

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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) 4.83 8.64 -15.42 2 6 0 76 393.83 2 ↓

Analogs

36705387
36705387

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Popular Name: 1-(4-methoxyphenyl)-3-(5-methyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)urea 1-(4-methoxyphenyl)-3-(5-methyl-…

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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) 4.23 7.37 -15.59 2 7 0 86 389.411 3 ↓

Analogs

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Popular Name: 1-(5-chloro-2-methoxy-phenyl)-3-(5-methyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)urea 1-(5-chloro-2-methoxy-phenyl)-3-…

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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) 4.84 8.03 -14.42 2 7 0 86 423.856 3 ↓

Analogs

36705387
36705387

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Popular Name: 1-(5-methyl-6-oxo-benzo[b][1,5]benzoxazepin-8-yl)-3-(m-tolyl)urea 1-(5-methyl-6-oxo-benzo[b][1,5]b…

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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) 4.60 8.74 -21.39 2 6 0 76 373.412 2 ↓

Analogs

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Popular Name: 1-(5-methyl-6-oxo-benzo[b][1,5]benzoxazepin-8-yl)-3-(p-tolyl)urea 1-(5-methyl-6-oxo-benzo[b][1,5]b…

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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) 4.62 8.74 -21.21 2 6 0 76 373.412 2 ↓

Analogs

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Popular Name: 1-(2-methoxyphenyl)-3-(5-methyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)urea 1-(2-methoxyphenyl)-3-(5-methyl-…

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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) 4.18 7.52 -14 2 7 0 86 389.411 3 ↓

Analogs

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Popular Name: 1-(2-ethoxyphenyl)-3-(5-methyl-6-oxo-benzo[b][1,5]benzoxazepin-8-yl)urea 1-(2-ethoxyphenyl)-3-(5-methyl-6…

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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) 4.56 8.44 -20.2 2 7 0 86 403.438 4 ↓

Analogs

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Popular Name: 1-(4-butoxyphenyl)-3-(5-methyl-6-oxo-benzo[b][1,5]benzoxazepin-8-yl)urea 1-(4-butoxyphenyl)-3-(5-methyl-6…

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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) 5.67 9.85 -21.47 2 7 0 86 431.492 6 ↓

Analogs

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Popular Name: 1-(2,3-dimethoxyphenyl)-3-(5-methyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)urea 1-(2,3-dimethoxyphenyl)-3-(5-met…

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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) 3.99 7.53 -14.97 2 8 0 95 419.437 4 ↓

Analogs

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Popular Name: 1-(3,4-dimethoxyphenyl)-3-(5-methyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)urea 1-(3,4-dimethoxyphenyl)-3-(5-met…

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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) 3.82 7.28 -17.18 2 8 0 95 419.437 4 ↓

Analogs

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Popular Name: 1-(2,4-dimethoxyphenyl)-3-(5-methyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)urea 1-(2,4-dimethoxyphenyl)-3-(5-met…

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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) 4.21 6.8 -14.57 2 8 0 95 419.437 4 ↓

Parameters Provided:

ring.id = 557867
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 = 557867 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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