UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2790201
2790201

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Popular Name: 5-[(2-bromophenoxy)methyl]-N-(4-keto-2-mercapto-quinazolin-3-yl)-2-furamide 5-[(2-bromophenoxy)methyl]-N-(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) 4.47 -2.21 -16.58 1 7 0 86 472.32 5 ↓

Analogs

2790201
2790201

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Popular Name: 5-[(4-bromophenoxy)methyl]-N-(4-keto-2-mercapto-quinazolin-3-yl)-2-furamide 5-[(4-bromophenoxy)methyl]-N-(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) 4.52 8.78 -14.83 1 7 0 86 472.32 5 ↓

Analogs

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Popular Name: 5-[(2,4-difluorophenoxy)methyl]-N-(4-keto-2-mercapto-quinazolin-3-yl)-2-furamide 5-[(2,4-difluorophenoxy)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) 3.96 8.3 -17.89 1 7 0 86 429.404 5 ↓

Analogs

2790201
2790201

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Popular Name: 5-[(4-fluorophenoxy)methyl]-N-(4-keto-2-mercapto-quinazolin-3-yl)-2-furamide 5-[(4-fluorophenoxy)methyl]-N-(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) 3.87 -0.79 -15.45 1 7 0 86 411.414 5 ↓

Analogs

2792766
2792766
2790201
2790201

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Popular Name: 5-[(4-chlorophenoxy)methyl]-N-(4-keto-2-mercapto-quinazolin-3-yl)-2-furamide 5-[(4-chlorophenoxy)methyl]-N-(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) 4.39 8.68 -14.85 1 7 0 86 427.869 5 ↓

Analogs

2792766
2792766
2790201
2790201

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Popular Name: 5-[(2-chloro-4-fluoro-phenoxy)methyl]-N-(4-keto-2-mercapto-quinazolin-3-yl)-2-furamide 5-[(2-chloro-4-fluoro-phenoxy)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) 4.48 -0.89 -16.96 1 7 0 86 445.859 5 ↓

Analogs

2792766
2792766

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Popular Name: 5-[(2,4-dimethylphenoxy)methyl]-N-(4-keto-2-mercapto-quinazolin-3-yl)-2-furamide 5-[(2,4-dimethylphenoxy)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) 4.53 9.58 -14.69 1 7 0 86 421.478 5 ↓

Analogs

2790201
2790201
2792766
2792766

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Popular Name: N-(4-keto-2-mercapto-quinazolin-3-yl)-5-[(3-methylphenoxy)methyl]-2-furamide N-(4-keto-2-mercapto-quinazolin-…

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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) 4.13 -1.21 -14.93 1 7 0 86 407.451 5 ↓

Analogs

2790201
2790201
2792766
2792766

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-chloro-5-methyl-phenoxy)methyl]-N-(4-keto-2-mercapto-quinazolin-3-yl)-2-furamide 5-[(2-chloro-5-methyl-phenoxy)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) 4.76 9.39 -16.36 1 7 0 86 441.896 5 ↓

Parameters Provided:

ring.id = 236721
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 = 236721 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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