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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-allyloxy-4-oxido-3-(p-tolyl)quinoxalin-4-ium-2-one 1-allyloxy-4-oxido-3-(p-tolyl)qu…

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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) 0.90 9.87 -17.14 0 5 0 60 308.337 4 ↓
Mid Mid (pH 6-8) 0.90 9.09 -27.3 1 5 1 57 309.345 4 ↓

Analogs

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Popular Name: 3-amino-7-methoxy-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile 3-amino-7-methoxy-1,4-dioxido-qu…

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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 2.04 -36.81 3 7 1 107 233.207 1 ↓

Analogs

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Popular Name: N'-(4-chlorobenzoyl)-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-carbohydrazide N'-(4-chlorobenzoyl)-3-methyl-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) -1.17 6.27 -18.12 2 8 0 109 372.768 3 ↓

Analogs

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Popular Name: 3-methyl-1,4-dioxido-N'-(thiophene-2-carbonyl)quinoxaline-1,4-diium-2-carbohydrazide 3-methyl-1,4-dioxido-N'-(thiophe…

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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) -1.95 4.76 -18.59 2 8 0 109 344.352 3 ↓

Analogs

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Popular Name: N'-benzoyl-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-carbohydrazide N'-benzoyl-3-methyl-1,4-dioxido-…

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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) -1.85 5.75 -19.16 2 8 0 109 338.323 3 ↓

Analogs

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Popular Name: 7-fluoro-8-methyl-5,10-dioxido-phenazine-5,10-diium-2-ol 7-fluoro-8-methyl-5,10-dioxido-p…

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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) -0.78 3.4 -27.42 2 5 1 68 261.232 0 ↓

Analogs

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Popular Name: 7,8-dichloro-5,10-dioxido-phenazine-5,10-diium-2-amine 7,8-dichloro-5,10-dioxido-phenaz…

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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) -0.48 5.09 -13.7 2 5 0 77 296.113 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-methyl-7,12-dioxido-pyrido[3,2-a]phenazine-7,12-diium-5-ol 9-methyl-7,12-dioxido-pyrido[3,2…

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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) -0.40 5.22 -53.99 2 6 0 85 294.29 0 ↓
Hi High (pH 8-9.5) -0.40 3.98 -20.49 2 6 0 81 294.29 0 ↓
Mid Mid (pH 6-8) -0.40 4.75 -51.1 1 6 0 84 293.282 0 ↓

Analogs

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Popular Name: 8-fluoro-5,10-dioxido-phenazine-5,10-diium-2-amine 8-fluoro-5,10-dioxido-phenazine-…

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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) -1.60 4.19 -15.35 2 5 0 77 245.213 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-fluoro-8-methyl-5,10-dioxido-phenazine-5,10-diium-2-amine 7-fluoro-8-methyl-5,10-dioxido-p…

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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) -1.22 4.86 -18.81 2 5 0 77 259.24 0 ↓

Analogs

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Popular Name: 3-(4-bromophenyl)-1-hydroxy-4-oxido-quinoxalin-4-ium-2-one 3-(4-bromophenyl)-1-hydroxy-4-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) 0.34 7.17 -57.63 0 5 -1 74 332.133 1 ↓

Analogs

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Popular Name: 3-(2,4-dimethoxyphenyl)-1-hydroxy-4-oxido-quinoxalin-4-ium-2-one 3-(2,4-dimethoxyphenyl)-1-hydrox…

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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) -0.43 6.08 -65.12 0 7 -1 93 313.289 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-bromophenyl)-1-hydroxy-4-oxido-quinoxalin-4-ium-2-one 3-(3-bromophenyl)-1-hydroxy-4-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) 0.31 7.16 -58.37 0 5 -1 74 332.133 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-hydroxy-4-oxido-3-(4-propoxyphenyl)quinoxalin-4-ium-2-one 1-hydroxy-4-oxido-3-(4-propoxyph…

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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) 0.46 7.58 -60.8 0 6 -1 83 311.317 4 ↓

Analogs

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Popular Name: 1-hydroxy-4-oxido-3-[3-(trifluoromethyl)phenyl]quinoxalin-4-ium-2-one 1-hydroxy-4-oxido-3-[3-(trifluor…

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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) 0.40 7.55 -57.55 0 5 -1 74 321.234 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,5-dimethoxyphenyl)-1-hydroxy-4-oxido-quinoxalin-4-ium-2-one 3-(2,5-dimethoxyphenyl)-1-hydrox…

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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) -0.43 6.07 -70.33 0 7 -1 93 313.289 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-hydroxy-3-(4-iodophenyl)-4-oxido-quinoxalin-4-ium-2-one 1-hydroxy-3-(4-iodophenyl)-4-oxi…

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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) 0.61 7.64 -57.54 0 5 -1 74 379.133 1 ↓

Analogs

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Popular Name: 7-chloro-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile 7-chloro-3-[4-(4-nitrophenyl)pip…

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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) 0.13 11.69 -15.81 0 10 0 127 426.82 3 ↓
Mid Mid (pH 6-8) 0.13 10.93 -52.13 1 10 1 124 427.828 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,7-dichloro-3-methyl-1,4-dioxido-N-phenethyl-quinoxaline-1,4-diium-2-carboxamide 6,7-dichloro-3-methyl-1,4-dioxid…

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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) 0.42 8.87 -10.57 1 6 0 80 392.242 4 ↓
Mid Mid (pH 6-8) 0.42 8.12 -31.06 2 6 1 77 393.25 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-fluoro-3-methyl-1,4-dioxido-N-phenethyl-quinoxaline-1,4-diium-2-carboxamide 7-fluoro-3-methyl-1,4-dioxido-N-…

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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) -0.70 7.96 -12.4 1 6 0 80 341.342 4 ↓

Analogs

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Popular Name: 6,7-difluoro-3-methyl-1,4-dioxido-N-phenethyl-quinoxaline-1,4-diium-2-carboxamide 6,7-difluoro-3-methyl-1,4-dioxid…

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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) -0.60 8.02 -11.16 1 6 0 80 359.332 4 ↓

Analogs

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Popular Name: 7-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-carboxamide 7-chloro-N-[2-(4-methoxyphenyl)e…

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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) -0.12 7.71 -14.02 1 7 0 89 387.823 5 ↓

Analogs

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Popular Name: 6,7-dichloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-carboxamide 6,7-dichloro-N-[2-(4-methoxyphen…

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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) 0.48 8.17 -12.38 1 7 0 89 422.268 5 ↓
Mid Mid (pH 6-8) 0.48 7.42 -33.13 2 7 1 86 423.276 5 ↓

Analogs

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Popular Name: 5,10-dioxidophenazine-5,10-diium-1,3-diol 5,10-dioxidophenazine-5,10-diium…

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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) -1.59 1.15 -17.85 3 6 0 89 245.214 0 ↓

Analogs

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Popular Name: 1-hydroxy-4-oxido-3-phenyl-quinoxalin-4-ium-2-one 1-hydroxy-4-oxido-3-phenyl-quino…

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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) -0.47 6.54 -62.5 0 5 -1 74 253.237 1 ↓

Analogs

31772428
31772428

Draw Identity 99% 90% 80% 70%

Popular Name: 1-hydroxy-4-oxido-quinoxalin-4-ium-2-one 1-hydroxy-4-oxido-quinoxalin-4-i…

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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) -2.39 2.94 -56.22 0 5 -1 74 177.139 0 ↓

Analogs

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Popular Name: methyl 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) -2.29 3.51 -16.27 1 8 0 107 266.209 3 ↓
Mid Mid (pH 6-8) -3.34 3.82 -28.06 1 8 1 96 267.217 3 ↓
Mid Mid (pH 6-8) -3.34 4.88 -26.95 0 8 0 99 266.209 3 ↓

Parameters Provided:

ring.id = 26346
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 26346 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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