UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(3-amino-4-methyl-phenyl)-1,3-dihydroquinoxalin-2-one 4-(3-amino-4-methyl-phenyl)-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) 2.96 4.94 -7.31 3 4 0 58 253.305 1 ↓

Analogs

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Popular Name: 4-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one 4-[3-fluoro-2-[(1S)-1-hydroxyeth…

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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) 2.73 4.91 -9.41 2 4 0 53 286.306 2 ↓

Analogs

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Popular Name: 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one 4-[3-fluoro-2-[(1R)-1-hydroxyeth…

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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) 2.73 4.91 -9.74 2 4 0 53 286.306 2 ↓

Analogs

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Popular Name: 4-[4-[(1S)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one 4-[4-[(1S)-1-hydroxyethyl]phenyl…

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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) 2.66 4.47 -8.66 2 4 0 53 268.316 2 ↓

Analogs

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Popular Name: 4-[4-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one 4-[4-[(1R)-1-hydroxyethyl]phenyl…

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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) 2.66 4.44 -8.54 2 4 0 53 268.316 2 ↓

Analogs

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Popular Name: 4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one 4-[4-fluoro-2-[(1S)-1-hydroxyeth…

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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) 2.75 4.57 -7.22 2 4 0 53 286.306 2 ↓

Analogs

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Popular Name: 4-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one 4-[4-fluoro-2-[(1R)-1-hydroxyeth…

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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) 2.75 4.57 -7.45 2 4 0 53 286.306 2 ↓

Analogs

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Popular Name: 4-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one 4-[2-fluoro-4-[(1S)-1-hydroxyeth…

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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) 2.75 4.61 -9.59 2 4 0 53 286.306 2 ↓

Analogs

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Popular Name: 4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one 4-[2-fluoro-4-[(1R)-1-hydroxyeth…

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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) 2.75 4.57 -9.86 2 4 0 53 286.306 2 ↓

Analogs

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Popular Name: 4-(2-amino-4-nitro-phenyl)-1,3-dihydroquinoxalin-2-one 4-(2-amino-4-nitro-phenyl)-1,3-d…

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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 5.29 -8.73 3 7 0 104 284.275 2 ↓

Analogs

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Popular Name: 4-[2-(aminomethyl)-4-chloro-phenyl]-1,3-dihydroquinoxalin-2-one 4-[2-(aminomethyl)-4-chloro-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) 2.89 5.01 -40.51 4 4 1 60 288.758 2 ↓

Analogs

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Popular Name: 5-chloro-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzenecarbothioamide 5-chloro-2-(3-oxo-2,4-dihydroqui…

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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) 3.50 5.87 -12.1 3 4 0 58 317.801 2 ↓

Analogs

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Popular Name: 5-chloro-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile 5-chloro-2-(3-oxo-2,4-dihydroqui…

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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) 3.46 7.42 -11.89 1 4 0 56 283.718 1 ↓

Analogs

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Popular Name: 2-chloro-6-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzenecarbothioamide 2-chloro-6-(3-oxo-2,4-dihydroqui…

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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) 3.48 6.16 -14 3 4 0 58 317.801 2 ↓

Analogs

42802534
42802534

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Popular Name: 2-chloro-6-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic 2-chloro-6-(3-oxo-2,4-dihydroqui…

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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 6.6 -56.48 1 5 -1 72 301.709 2 ↓

Analogs

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Popular Name: 4-[2-(aminomethyl)-5-chloro-phenyl]-1,3-dihydroquinoxalin-2-one 4-[2-(aminomethyl)-5-chloro-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) 2.89 5.01 -42.41 4 4 1 60 288.758 2 ↓

Analogs

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Popular Name: 4-chloro-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzenecarbothioamide 4-chloro-2-(3-oxo-2,4-dihydroqui…

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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) 3.50 5.87 -14.28 3 4 0 58 317.801 2 ↓

Analogs

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Popular Name: 4-chloro-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile 4-chloro-2-(3-oxo-2,4-dihydroqui…

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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) 3.46 7.42 -11.02 1 4 0 56 283.718 1 ↓

Analogs

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Popular Name: 4-[4-(aminomethyl)-2-chloro-phenyl]-1,3-dihydroquinoxalin-2-one 4-[4-(aminomethyl)-2-chloro-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) 2.89 5.06 -55.45 4 4 1 60 288.758 2 ↓

Analogs

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Popular Name: 3-chloro-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile 3-chloro-4-(3-oxo-2,4-dihydroqui…

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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) 3.46 7.43 -10.3 1 4 0 56 283.718 1 ↓

Analogs

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Popular Name: 3-chloro-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzenecarbothioamide 3-chloro-4-(3-oxo-2,4-dihydroqui…

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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) 3.50 6.26 -14.5 3 4 0 58 317.801 2 ↓

Analogs

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Popular Name: 4-amino-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic 4-amino-2-(3-oxo-2,4-dihydroquin…

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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) 2.19 5.02 -57.76 3 6 -1 98 282.279 2 ↓

Analogs

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Popular Name: 5-fluoro-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzaldehyde 5-fluoro-2-(3-oxo-2,4-dihydroqui…

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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) 2.98 6.47 -9.99 1 4 0 49 270.263 2 ↓

Analogs

42802534
42802534

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Popular Name: 5-fluoro-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic 5-fluoro-2-(3-oxo-2,4-dihydroqui…

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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) 3.28 7.23 -52.91 1 5 -1 72 285.254 2 ↓

Analogs

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Popular Name: 4-[4-fluoro-2-(hydroxymethyl)phenyl]-1,3-dihydroquinoxalin-2-one 4-[4-fluoro-2-(hydroxymethyl)phe…

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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) 2.53 4.1 -7.99 2 4 0 53 272.279 2 ↓

Analogs

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Popular Name: 4-[4-fluoro-2-(methylaminomethyl)phenyl]-1,3-dihydroquinoxalin-2-one 4-[4-fluoro-2-(methylaminomethyl…

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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) 2.75 6.43 -36.78 3 4 1 49 286.33 3 ↓

Analogs

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Popular Name: 4-[2-(aminomethyl)-4-fluoro-phenyl]-1,3-dihydroquinoxalin-2-one 4-[2-(aminomethyl)-4-fluoro-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) 2.37 4.55 -41.13 4 4 1 60 272.303 2 ↓

Parameters Provided:

ring.id = 5529
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 = 5529 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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