UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[(3R)-1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one 4-[(3R)-1-(5-chloro-2-methoxy-ph…

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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) 2.47 6.9 -16.82 1 7 0 79 399.834 3 ↓

Analogs

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Popular Name: 4-[(3S)-1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one 4-[(3S)-1-(5-chloro-2-methoxy-ph…

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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) 2.47 6.88 -20.78 1 7 0 79 399.834 3 ↓

Analogs

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Popular Name: 4-[(3S)-1-(3-methoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one 4-[(3S)-1-(3-methoxyphenyl)-5-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) 1.84 6.01 -23.94 1 7 0 79 365.389 3 ↓

Analogs

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Popular Name: 4-[(3R)-1-(3-methoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one 4-[(3R)-1-(3-methoxyphenyl)-5-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) 1.84 5.96 -20.05 1 7 0 79 365.389 3 ↓

Analogs

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Popular Name: 4-[(3S)-1-(3-ethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one 4-[(3S)-1-(3-ethylphenyl)-5-oxo-…

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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) 2.70 8.13 -20.15 1 6 0 70 363.417 3 ↓

Analogs

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Popular Name: 4-[(3R)-1-(3-ethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one 4-[(3R)-1-(3-ethylphenyl)-5-oxo-…

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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) 2.70 8.08 -15.39 1 6 0 70 363.417 3 ↓

Analogs

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Popular Name: 4-[(3S)-1-(3-isopropylphenyl)-5-oxo-pyrrolidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one 4-[(3S)-1-(3-isopropylphenyl)-5-…

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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) 3.30 8.72 -20.25 1 6 0 70 377.444 3 ↓

Analogs

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Popular Name: 4-[(3R)-1-(3-isopropylphenyl)-5-oxo-pyrrolidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one 4-[(3R)-1-(3-isopropylphenyl)-5-…

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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) 3.30 8.59 -15.77 1 6 0 70 377.444 3 ↓

Parameters Provided:

ring.id = 37963
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 = 37963 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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