UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)carbonylmethyl (2,2-dimethyl-3-oxo-4H-quinoxali…

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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) 2.93 1.76 -13.6 1 9 0 121 397.387 5 ↓

Analogs

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Popular Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl] [2-(2,2-dimethyl-3-oxo-4H-quinox…

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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) 1.78 5.04 -18.55 3 8 0 119 381.388 5 ↓

Analogs

14242864
14242864
3355089
3355089

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Popular Name: [(1S)-1-methyl-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] [(1S)-1-methyl-2-oxo-2-(3-oxo-2,…

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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) 2.93 7.58 -20.8 1 10 0 122 489.55 9 ↓

Analogs

3355089
3355089
14242863
14242863

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Popular Name: [(1R)-1-methyl-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] [(1R)-1-methyl-2-oxo-2-(3-oxo-2,…

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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) 2.93 7.64 -19.42 1 10 0 122 489.55 9 ↓

Analogs

3403783
3403783
3485852
3485852
3488331
3488331
3529793
3529793
3531320
3531320

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Popular Name: 4-ethoxybenzoic-acid-[2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl]-ester 4-ethoxybenzoic-acid-[2-keto-2-(…

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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 0.56 -12.99 1 7 0 84 354.362 6 ↓

Analogs

3450738
3450738
3465022
3465022
3519753
3519753
3529629
3529629
4512995
4512995

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Popular Name: 4-hydroxybenzoic-acid-[2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl]-ester 4-hydroxybenzoic-acid-[2-keto-2-…

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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) 2.04 -1.44 -13.85 2 7 0 95 326.308 4 ↓

Analogs

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Popular Name: [(1R)-1-methyl-2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl] [(1R)-1-methyl-2-oxo-2-[3-oxo-6-…

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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 7.73 -15.56 3 10 0 148 452.345 6 ↓

Analogs

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Popular Name: [(1S)-1-methyl-2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl] [(1S)-1-methyl-2-oxo-2-[3-oxo-6-…

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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 7.65 -16.49 3 10 0 148 452.345 6 ↓

Analogs

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Popular Name: [2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl] [2-oxo-2-[3-oxo-6-(trifluorometh…

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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) 2.94 7.26 -17.25 3 10 0 148 438.318 6 ↓

Analogs

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Popular Name: [(1R)-1-methyl-2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl] [(1R)-1-methyl-2-oxo-2-[3-oxo-6-…

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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) 4.43 7.52 -11.2 2 7 0 96 442.777 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-methyl-2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl] [(1S)-1-methyl-2-oxo-2-[3-oxo-6-…

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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) 4.43 7.45 -12.38 2 7 0 96 442.777 5 ↓

Parameters Provided:

ring.id = 2511
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 = 2511 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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