UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25149463
25149463

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Popular Name: 1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methyl-2,3-dioxo-4H-quinoxaline-6-carboxamide 1-ethyl-N-[(3-methoxyphenyl)meth…

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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) 1.00 7.29 -20.47 1 7 0 84 367.405 5 ↓

Analogs

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Popular Name: N-allyl-N-[(2-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide N-allyl-N-[(2-fluorophenyl)methy…

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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) 0.84 6.8 -19.54 2 6 0 86 353.353 5 ↓

Analogs

14245738
14245738

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Popular Name: 1-ethyl-2,3-dioxo-N-[(1R)-1-phenylbutyl]-4H-quinoxaline-6-carboxamide 1-ethyl-2,3-dioxo-N-[(1R)-1-phen…

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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) 1.91 8.46 -17.12 2 6 0 84 365.433 6 ↓

Analogs

14245737
14245737

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Popular Name: 1-ethyl-2,3-dioxo-N-[(1S)-1-phenylbutyl]-4H-quinoxaline-6-carboxamide 1-ethyl-2,3-dioxo-N-[(1S)-1-phen…

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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) 1.91 8.46 -17.15 2 6 0 84 365.433 6 ↓

Analogs

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Popular Name: N-allyl-N-[(3-cyanophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide N-allyl-N-[(3-cyanophenyl)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) 0.45 7.16 -22.11 2 7 0 110 360.373 5 ↓

Analogs

44196979
44196979

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Popular Name: N-benzyl-N-isopropyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide N-benzyl-N-isopropyl-2,3-dioxo-1…

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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) 0.75 6.48 -17.87 2 6 0 86 337.379 4 ↓

Parameters Provided:

ring.id = 11465
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 = 11465 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=11465&filter.purchasability=annotated

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