UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[2-(3-aminophenyl)acetyl]-1,3-dihydroquinoxalin-2-one 4-[2-(3-aminophenyl)acetyl]-1,3-…

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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) 1.58 4.49 -12.38 3 5 0 75 281.315 2 ↓

Analogs

35514376
35514376

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Popular Name: 4-[2-(4-fluorophenyl)acetyl]-1,3-dihydroquinoxalin-2-one 4-[2-(4-fluorophenyl)acetyl]-1,3…

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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) 2.69 0.39 -12.72 1 4 0 49 284.29 2 ↓

Analogs

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Popular Name: 4-[2-(4-methylsulfonylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one 4-[2-(4-methylsulfonylphenyl)ace…

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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) 1.39 -3.98 -21.39 1 6 0 84 344.392 3 ↓

Analogs

36720179
36720179

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Popular Name: 4-[2-(4-isopropylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one 4-[2-(4-isopropylphenyl)acetyl]-…

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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) 4.04 0.45 -11.37 1 4 0 49 308.381 3 ↓

Analogs

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Popular Name: 4-[2-(3-chlorophenyl)acetyl]-1,3-dihydroquinoxalin-2-one 4-[2-(3-chlorophenyl)acetyl]-1,3…

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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) 3.18 7.13 -11.81 1 4 0 49 300.745 2 ↓

Analogs

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Popular Name: 4-[2-(m-tolyl)acetyl]-1,3-dihydroquinoxalin-2-one 4-[2-(m-tolyl)acetyl]-1,3-dihydr…

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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) 2.95 7.29 -11.68 1 4 0 49 280.327 2 ↓

Parameters Provided:

ring.id = 35978
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 = 35978 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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