UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-bromo-2-methyl-5-(4-nitrobenzoyl)oxy-benzofuran-3-carboxylic-acid-isopropyl-ester 6-bromo-2-methyl-5-(4-nitrobenzo…

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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) 5.52 4.56 -11.77 0 8 0 111 462.252 7 ↓

Analogs

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

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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) 4.78 4.33 -12.03 0 8 0 111 434.198 6 ↓

Analogs

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Popular Name: 6-bromo-5-(4-chlorobenzoyl)oxy-2-methyl-benzofuran-3-carboxylic-acid-isopropyl-ester 6-bromo-5-(4-chlorobenzoyl)oxy-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) 6.24 3.89 -10.04 0 5 0 65 451.7 6 ↓

Analogs

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Popular Name: 2-methyl-5-o-anisoyloxy-benzofuran-3-carboxylic-acid-2-methoxyethyl-ester 2-methyl-5-o-anisoyloxy-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) 3.98 4.37 -19.66 0 7 0 84 384.384 9 ↓

Analogs

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Popular Name: 5-(2,4-dimethoxybenzoyl)oxy-2-methyl-benzofuran-3-carboxylic-acid-2-methoxyethyl-ester 5-(2,4-dimethoxybenzoyl)oxy-2-me…

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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) 4.01 4.4 -19.43 0 8 0 93 414.41 10 ↓

Analogs

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Popular Name: 2-methyl-5-(4-nitrobenzoyl)oxy-benzofuran-3-carboxylic-acid-2-methoxyethyl-ester 2-methyl-5-(4-nitrobenzoyl)oxy-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) 3.84 4.4 -16.13 0 9 0 120 399.355 9 ↓

Analogs

34966473
34966473
34966475
34966475
34966477
34966477

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Popular Name: 2-methoxyethyl 5-[(4-bromobenzoyl)oxy]-2-methyl-1-benzofuran-3-carboxylate 2-methoxyethyl 5-[(4-bromobenzoy…

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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 3.14 -12.73 0 6 0 74 433.254 8 ↓

Analogs

34966555
34966555

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Popular Name: 2-methyl-5-(3,4,5-trimethoxybenzoyl)oxy-benzofuran-3-carboxylic-acid-2-methoxyethyl-ester 2-methyl-5-(3,4,5-trimethoxybenz…

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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) 3.52 4.68 -15.63 0 9 0 102 444.436 11 ↓

Parameters Provided:

ring.id = 222084
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 = 222084 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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