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Analogs

1846457
1846457

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Popular Name: R-803 R-803

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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) 3.69 2.41 -51.22 0 3 -1 53 265.288 3 ↓

Analogs

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Popular Name: 3-phenyl-7-propyl-benzofuran-6-ol 3-phenyl-7-propyl-benzofuran-6-ol

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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) 5.18 7.99 -6.33 1 2 0 33 252.313 3 ↓

Analogs

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Popular Name: (3-phenyl-5-propyl-benzofuran-2-yl)methanamine (3-phenyl-5-propyl-benzofuran-2-…

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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) 4.69 8.98 -46.07 3 2 1 41 266.364 4 ↓

Analogs

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Popular Name: 5-chloro-3-(2-fluorophenyl)benzofuran-2-carboxylic 5-chloro-3-(2-fluorophenyl)benzo…

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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) 4.57 10.06 -52.51 0 3 -1 53 289.669 2 ↓

Analogs

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Popular Name: 3-(2-chlorophenyl)-5,6-dimethyl-benzofuran-2-carboxylic 3-(2-chlorophenyl)-5,6-dimethyl-…

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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) 5.23 11.15 -55.69 0 3 -1 53 299.733 2 ↓

Analogs

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Popular Name: 3-(2-chlorophenyl)-5,7-dimethyl-benzofuran-2-carboxylic 3-(2-chlorophenyl)-5,7-dimethyl-…

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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) 5.23 11.25 -55.64 0 3 -1 53 299.733 2 ↓

Analogs

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Popular Name: 3-(2-chlorophenyl)-5-methoxy-benzofuran-2-carboxylic 3-(2-chlorophenyl)-5-methoxy-ben…

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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) 4.46 9.22 -54.05 0 4 -1 63 301.705 3 ↓

Analogs

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Popular Name: 3-(2-chlorophenyl)-5-fluoro-benzofuran-2-carboxylic 3-(2-chlorophenyl)-5-fluoro-benz…

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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) 3.59 10 -49.87 0 3 -1 53 289.669 2 ↓

Analogs

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Popular Name: 4-[5-methyl-3-(p-tolyl)benzofuran-2-yl]butan-2-one 4-[5-methyl-3-(p-tolyl)benzofura…

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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) 5.09 3.41 -8.88 0 2 0 30 292.378 4 ↓

Analogs

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Popular Name: 4,6-difluoro-3-phenyl-benzofuran-2-carboxylic 4,6-difluoro-3-phenyl-benzofuran…

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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) 4.03 9.57 -47.79 0 3 -1 53 273.214 2 ↓

Analogs

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Popular Name: 4,6-difluoro-3-phenyl-benzofuran-2-carbonitrile 4,6-difluoro-3-phenyl-benzofuran…

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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 9.2 -4.22 0 2 0 37 255.223 1 ↓

Analogs

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Popular Name: (4,6-difluoro-3-phenyl-benzofuran-2-yl)methanamine (4,6-difluoro-3-phenyl-benzofura…

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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) 3.64 6.79 -47.26 3 2 1 41 260.263 2 ↓

Analogs

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Popular Name: methyl 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) 3.27 7.73 -13.51 1 6 0 78 353.374 7 ↓

Analogs

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Popular Name: N-ethoxy-6-methoxy-3-phenyl-benzofuran-2-carboxamide N-ethoxy-6-methoxy-3-phenyl-benz…

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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) 3.79 7.98 -10.78 1 5 0 61 311.337 5 ↓

Analogs

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Popular Name: N,6-dimethoxy-3-phenyl-benzofuran-2-carboxamide N,6-dimethoxy-3-phenyl-benzofura…

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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) 3.41 7.04 -10.96 1 5 0 61 297.31 4 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-6-methoxy-N-methyl-3-phenyl-benzofuran-2-carboxamide N-(2-amino-2-oxo-ethyl)-6-methox…

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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) 2.43 5.59 -16.75 2 6 0 86 338.363 5 ↓

Parameters Provided:

ring.id = 247
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 = 247 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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