UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13013753
13013753

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Popular Name: 5-[2-[(2R)-2,3-dimethyl-4-oxo-1H-quinazolin-2-yl]ethyl]-3-methyl-benzofuran-2-carboxylic 5-[2-[(2R)-2,3-dimethyl-4-oxo-1H…

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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) 3.25 9.21 -65.03 1 6 -1 86 377.42 4 ↓

Analogs

13013751
13013751

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Popular Name: 5-[2-[(2S)-2,3-dimethyl-4-oxo-1H-quinazolin-2-yl]ethyl]-3-methyl-benzofuran-2-carboxylic 5-[2-[(2S)-2,3-dimethyl-4-oxo-1H…

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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) 3.25 9.13 -64.85 1 6 -1 86 377.42 4 ↓

Analogs

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Popular Name: 5-[2-[(2R)-3-isobutyl-2-methyl-4-oxo-1H-quinazolin-2-yl]ethyl]-3-methyl-benzofuran-2-carboxylic 5-[2-[(2R)-3-isobutyl-2-methyl-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) 4.37 11.28 -64.73 1 6 -1 86 419.501 6 ↓

Analogs

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Popular Name: 5-[2-[(2S)-3-isobutyl-2-methyl-4-oxo-1H-quinazolin-2-yl]ethyl]-3-methyl-benzofuran-2-carboxylic 5-[2-[(2S)-3-isobutyl-2-methyl-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) 4.37 11.38 -63.35 1 6 -1 86 419.501 6 ↓

Analogs

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Popular Name: 5-[2-[(2S)-3-allyl-2-methyl-4-oxo-1H-quinazolin-2-yl]ethyl]-3-methyl-benzofuran-2-carboxylic 5-[2-[(2S)-3-allyl-2-methyl-4-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) 3.89 10.53 -63.97 1 6 -1 86 403.458 6 ↓

Analogs

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Popular Name: 5-[2-[(2R)-3-allyl-2-methyl-4-oxo-1H-quinazolin-2-yl]ethyl]-3-methyl-benzofuran-2-carboxylic 5-[2-[(2R)-3-allyl-2-methyl-4-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) 3.89 10.67 -64.64 1 6 -1 86 403.458 6 ↓

Analogs

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Popular Name: 3-methyl-5-[2-[(2R)-2-methyl-4-oxo-3-propyl-1H-quinazolin-2-yl]ethyl]benzofuran-2-carboxylic 3-methyl-5-[2-[(2R)-2-methyl-4-o…

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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 10.78 -65.18 1 6 -1 86 405.474 6 ↓

Analogs

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Popular Name: 3-methyl-5-[2-[(2S)-2-methyl-4-oxo-3-propyl-1H-quinazolin-2-yl]ethyl]benzofuran-2-carboxylic 3-methyl-5-[2-[(2S)-2-methyl-4-o…

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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 10.72 -64.25 1 6 -1 86 405.474 6 ↓

Parameters Provided:

ring.id = 113617
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 = 113617 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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