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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(2,4-dichlorobenzyl)oxy-2-methyl-benzofuran-3-carboxylic-acid-isopropyl-ester 5-(2,4-dichlorobenzyl)oxy-2-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) 5.89 3.12 -9.28 0 4 0 48 393.266 6 ↓

Analogs

34966011
34966011

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Popular Name: 5-(2-chloro-6-fluoro-benzyl)oxy-2-methyl-benzofuran-3-carboxylic-acid-isopropyl-ester 5-(2-chloro-6-fluoro-benzyl)oxy-…

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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) 5.36 3.86 -12.08 0 4 0 48 376.811 6 ↓

Analogs

634143
634143

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Popular Name: 5-(2,6-dichlorobenzyl)oxy-2-methyl-benzofuran-3-carboxylic-acid-isopropyl-ester 5-(2,6-dichlorobenzyl)oxy-2-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) 5.87 3.01 -11.38 0 4 0 48 393.266 6 ↓

Analogs

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Popular Name: 5-(3,4-dichlorobenzyl)oxy-2-methyl-benzofuran-3-carboxylic-acid-methyl-ester 5-(3,4-dichlorobenzyl)oxy-2-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) 5.16 2.81 -12.22 0 4 0 48 365.212 5 ↓

Analogs

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Popular Name: 5-(3,4-dichlorobenzyl)oxy-2-methyl-benzofuran-3-carboxylic-acid-isopropyl-ester 5-(3,4-dichlorobenzyl)oxy-2-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) 5.89 3.04 -12.21 0 4 0 48 393.266 6 ↓

Analogs

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Popular Name: 6-bromo-2-methyl-5-(4-nitrobenzyl)oxy-benzofuran-3-carboxylic-acid-ethyl-ester 6-bromo-2-methyl-5-(4-nitrobenzy…

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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) 4.94 2.9 -11.99 0 7 0 94 434.242 7 ↓

Analogs

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Popular Name: 6-bromo-2-methyl-5-(4-nitrobenzyl)oxy-benzofuran-3-carboxylic-acid-methyl-ester 6-bromo-2-methyl-5-(4-nitrobenzy…

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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 2.93 -12.38 0 7 0 94 420.215 6 ↓

Analogs

623984
623984

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Popular Name: 6-bromo-5-(2,4-dichlorobenzyl)oxy-2-methyl-benzofuran-3-carboxylic-acid-methyl-ester 6-bromo-5-(2,4-dichlorobenzyl)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) 5.89 2.21 -7.3 0 4 0 48 444.108 5 ↓

Analogs

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Popular Name: 6-bromo-5-(3,4-dichlorobenzyl)oxy-2-methyl-benzofuran-3-carboxylic-acid-methyl-ester 6-bromo-5-(3,4-dichlorobenzyl)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) 5.89 2.13 -9.15 0 4 0 48 444.108 5 ↓

Analogs

623984
623984

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Popular Name: 6-bromo-5-(2,6-dichlorobenzyl)oxy-2-methyl-benzofuran-3-carboxylic-acid-methyl-ester 6-bromo-5-(2,6-dichlorobenzyl)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) 5.87 2.1 -9.54 0 4 0 48 444.108 5 ↓

Analogs

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Popular Name: 6-bromo-2-methyl-5-(3-nitrobenzyl)oxy-benzofuran-3-carboxylic-acid-ethyl-ester 6-bromo-2-methyl-5-(3-nitrobenzy…

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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) 4.92 2.9 -12.8 0 7 0 94 434.242 7 ↓

Analogs

34965839
34965839

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Popular Name: BRD-K87068276-001-01-3 BRD-K87068276-001-01-3

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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) 4.18 3.58 -16.8 0 7 0 94 355.346 7 ↓

Analogs

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Popular Name: 2-methyl-5-(3-nitrobenzyl)oxy-benzofuran-3-carboxylic-acid-isopropyl-ester 2-methyl-5-(3-nitrobenzyl)oxy-be…

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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) 4.55 3.84 -16.95 0 7 0 94 369.373 7 ↓

Analogs

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Popular Name: 6-bromo-5-m-anisyloxy-2-methyl-benzofuran-3-carboxylic-acid-2-methoxyethyl-ester 6-bromo-5-m-anisyloxy-2-methyl-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) 4.44 1.78 -11.68 0 6 0 67 449.297 9 ↓

Analogs

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Popular Name: isopropyl isopropyl

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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) 5.44 4.01 -11.74 0 4 0 48 352.43 6 ↓

Analogs

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Popular Name: 5-benzyloxy-3-methyl-benzofuran-2-carboxylic 5-benzyloxy-3-methyl-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) 4.08 9.66 -50.09 0 4 -1 63 281.287 4 ↓

Analogs

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Popular Name: 1-(5-benzyloxy-3-methyl-benzofuran-2-yl)ethanone 1-(5-benzyloxy-3-methyl-benzofur…

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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) 4.41 9.4 -7.82 0 3 0 39 280.323 4 ↓

Analogs

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Popular Name: (1R)-1-(5-benzyloxy-3-methyl-benzofuran-2-yl)ethanamine (1R)-1-(5-benzyloxy-3-methyl-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) 2.37 7.61 -46.88 3 3 1 50 282.363 4 ↓

Analogs

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Popular Name: (1S)-1-(5-benzyloxy-3-methyl-benzofuran-2-yl)ethanamine (1S)-1-(5-benzyloxy-3-methyl-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) 2.37 7.59 -47.11 3 3 1 50 282.363 4 ↓

Parameters Provided:

ring.id = 221957
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 = 221957 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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