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

39302224
39302224
39302232
39302232
39302234
39302234
45615939
45615939

Draw Identity 99% 90% 80% 70%

Popular Name: (2,3-dimethylquinoxalin-6-yl)-(4-methylpiperazin-1-yl)methanone (2,3-dimethylquinoxalin-6-yl)-(4…

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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) 1.01 5.8 -46.31 1 5 1 51 285.371 1 ↓
Mid Mid (pH 6-8) 1.01 3.42 -10.12 0 5 0 49 284.363 1 ↓

Analogs

39302224
39302224
39302232
39302232
39302234
39302234
45615939
45615939

Draw Identity 99% 90% 80% 70%

Popular Name: (2,3-dimethylquinoxalin-6-yl)-(4-ethylpiperazin-1-yl)methanone (2,3-dimethylquinoxalin-6-yl)-(4…

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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) 1.39 6.48 -44.7 1 5 1 51 299.398 2 ↓
Mid Mid (pH 6-8) 1.39 4.26 -12.2 0 5 0 49 298.39 2 ↓

Analogs

39302224
39302224
39302232
39302232
39302234
39302234
45615939
45615939

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,3-dimethylquinoxaline-6-carbonyl)piperazine-1-carbaldehyde 4-(2,3-dimethylquinoxaline-6-car…

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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 4.25 -16.16 0 6 0 66 298.346 1 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.46 5.65 -15.43 0 7 0 76 342.399 3 ↓

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) 0.84 4.97 -13.95 0 7 0 76 356.426 5 ↓
Lo Low (pH 4.5-6) 0.84 7.2 -53.74 1 7 1 77 357.434 5 ↓

Analogs

30677875
30677875

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-aminoethyl)piperazin-1-yl]-quinoxalin-6-yl-methanone [4-(2-aminoethyl)piperazin-1-yl]…

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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) -0.63 0.47 -55.88 3 6 1 77 286.359 3 ↓
Hi High (pH 8-9.5) -0.63 0.08 -12.48 2 6 0 75 285.351 3 ↓
Lo Low (pH 4.5-6) -0.63 2.66 -131.6 4 6 2 78 287.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-methylpiperazin-1-yl]-quinoxalin-6-yl-methanone [(2R)-2-methylpiperazin-1-yl]-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) 0.30 2.97 -57 2 5 1 63 257.317 1 ↓
Mid Mid (pH 6-8) 0.30 1.65 -11.95 1 5 0 58 256.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-methylpiperazin-1-yl]-quinoxalin-6-yl-methanone [(2S)-2-methylpiperazin-1-yl]-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) 0.30 2.94 -58.37 2 5 1 63 257.317 1 ↓
Mid Mid (pH 6-8) 0.30 1.62 -11.94 1 5 0 58 256.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-2,6-dimethylpiperazin-1-yl]-quinoxalin-6-yl-methanone [(2S,6R)-2,6-dimethylpiperazin-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) 0.63 3.19 -53.16 2 5 1 63 271.344 1 ↓
Mid Mid (pH 6-8) 0.63 1.87 -10.07 1 5 0 58 270.336 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6S)-2,6-dimethylpiperazin-1-yl]-quinoxalin-6-yl-methanone [(2S,6S)-2,6-dimethylpiperazin-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) 0.63 3.67 -57.9 2 5 1 63 271.344 1 ↓
Mid Mid (pH 6-8) 0.63 2.35 -11.73 1 5 0 58 270.336 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-2,6-dimethylpiperazin-1-yl]-quinoxalin-6-yl-methanone [(2R,6R)-2,6-dimethylpiperazin-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) 0.63 3.66 -55.02 2 5 1 63 271.344 1 ↓
Mid Mid (pH 6-8) 0.63 2.3 -12.13 1 5 0 58 270.336 1 ↓

Parameters Provided:

ring.id = 66839
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 = 66839 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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