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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 3-butyl-6-isopropyl-2-(o-tolyl)-8H-imidazo[5,4-g]quinoxalin-7-one 3-butyl-6-isopropyl-2-(o-tolyl)-…

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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) 5.48 11 -9.06 1 5 0 64 374.488 5 ↓
Lo Low (pH 4.5-6) 5.48 11.32 -30.35 2 5 1 65 375.496 5 ↓

Analogs

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Popular Name: 3-butyl-6-isopropyl-2-(m-tolyl)-8H-imidazo[5,4-g]quinoxalin-7-one 3-butyl-6-isopropyl-2-(m-tolyl)-…

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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) 5.50 10.76 -9.52 1 5 0 64 374.488 5 ↓
Lo Low (pH 4.5-6) 5.50 11.29 -31.36 2 5 1 65 375.496 5 ↓

Analogs

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Popular Name: 3-butyl-2-(3,4-dichlorophenyl)-6-isopropyl-8H-imidazo[5,4-g]quinoxalin-7-one 3-butyl-2-(3,4-dichlorophenyl)-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) 6.36 11.06 -7.96 1 5 0 64 429.351 5 ↓
Hi High (pH 8-9.5) 7.27 8.97 -48.91 0 5 -1 67 428.343 5 ↓

Analogs

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Popular Name: 4-(3-butyl-6-isopropyl-7-oxo-8H-imidazo[5,4-g]quinoxalin-2-yl)benzonitrile 4-(3-butyl-6-isopropyl-7-oxo-8H-…

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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) 4.83 10.47 -11.93 1 6 0 87 385.471 5 ↓
Lo Low (pH 4.5-6) 4.83 11 -42.86 2 6 1 89 386.479 5 ↓

Analogs

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Popular Name: 3-butyl-6-isopropyl-2-(1-naphthyl)-8H-imidazo[5,4-g]quinoxalin-7-one 3-butyl-6-isopropyl-2-(1-naphthy…

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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) 6.24 12.49 -11.38 1 5 0 64 410.521 5 ↓
Lo Low (pH 4.5-6) 6.24 12.9 -31.4 2 5 1 65 411.529 5 ↓

Analogs

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Popular Name: 3-butyl-6-isopropyl-2-phenethyl-8H-imidazo[5,4-g]quinoxalin-7-one 3-butyl-6-isopropyl-2-phenethyl-…

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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) 5.05 11.89 -10.03 1 5 0 64 388.515 7 ↓
Lo Low (pH 4.5-6) 5.05 12.18 -39.22 2 5 1 65 389.523 7 ↓

Analogs

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Popular Name: 3-butyl-6-isopropyl-2-(3-pyridyl)-8H-imidazo[5,4-g]quinoxalin-7-one 3-butyl-6-isopropyl-2-(3-pyridyl…

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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) 4.01 8.28 -9.64 1 6 0 76 361.449 5 ↓
Hi High (pH 8-9.5) 4.91 6.23 -51.65 0 6 -1 80 360.441 5 ↓

Analogs

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Popular Name: 2-(3-bromophenyl)-3-butyl-6-isopropyl-8H-imidazo[5,4-g]quinoxalin-7-one 2-(3-bromophenyl)-3-butyl-6-isop…

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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) 5.86 10.71 -8.3 1 5 0 64 439.357 5 ↓
Hi High (pH 8-9.5) 6.77 8.6 -51.12 0 5 -1 67 438.349 5 ↓

Analogs

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Popular Name: 3-butyl-2-cyclohexyl-6-isopropyl-8H-imidazo[5,4-g]quinoxalin-7-one 3-butyl-2-cyclohexyl-6-isopropyl…

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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) 4.96 10.42 -8.6 1 5 0 64 366.509 5 ↓
Lo Low (pH 4.5-6) 4.96 10.87 -33.37 2 5 1 65 367.517 5 ↓

Analogs

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Popular Name: 2-cyclohexyl-1-(cyclohexylmethyl)-7-methyl-5H-pyrazino[6,5-f]benzimidazol-6-one 2-cyclohexyl-1-(cyclohexylmethyl…

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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) 4.75 10.34 -9.04 1 5 0 64 378.52 3 ↓
Lo Low (pH 4.5-6) 4.75 10.92 -34.46 2 5 1 65 379.528 3 ↓

Analogs

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Popular Name: 1-(cyclohexylmethyl)-2-(4-ethylphenyl)-7-methyl-5H-imidazo[5,4-g]quinoxalin-6-one 1-(cyclohexylmethyl)-2-(4-ethylp…

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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) 5.79 11.73 -9.66 1 5 0 64 400.526 4 ↓
Lo Low (pH 4.5-6) 5.79 12.15 -32.46 2 5 1 65 401.534 4 ↓

Analogs

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Popular Name: 3-butyl-2-(3,4-difluorophenyl)-6-isopropyl-8H-imidazo[5,4-g]quinoxalin-7-one 3-butyl-2-(3,4-difluorophenyl)-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) 5.33 10.21 -8.76 1 5 0 64 396.441 5 ↓
Hi High (pH 8-9.5) 6.24 8.11 -50.03 0 5 -1 67 395.433 5 ↓

Analogs

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Popular Name: 3-butyl-2-(4-tert-butylphenyl)-6-isopropyl-8H-imidazo[5,4-g]quinoxalin-7-one 3-butyl-2-(4-tert-butylphenyl)-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) 6.78 12.41 -9.05 1 5 0 64 416.569 6 ↓
Lo Low (pH 4.5-6) 6.78 12.94 -31.81 2 5 1 65 417.577 6 ↓

Parameters Provided:

ring.id = 254399
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 = 254399 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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