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

Analogs

35894271
35894271
35870141
35870141
35870142
35870142
35543621
35543621
35543623
35543623

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5R)-N-isopropyl-3-pyrazin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide (4aS,5R)-N-isopropyl-3-pyrazin-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) 2.17 7.19 -12.65 1 6 0 61 351.454 3 ↓

Analogs

35870141
35870141
35870142
35870142
35894269
35894269
35543621
35543621
35543623
35543623

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5S)-N-isopropyl-3-pyrazin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide (4aS,5S)-N-isopropyl-3-pyrazin-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) 2.17 6.89 -10.47 1 6 0 61 351.454 3 ↓

Analogs

35894283
35894283

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5R)-N-(3-methoxypropyl)-3-pyrazin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxa (4aS,5R)-N-(3-methoxypropyl)-3-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) 1.76 6.2 -13.32 1 7 0 71 381.48 6 ↓

Analogs

35894281
35894281

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5S)-N-(3-methoxypropyl)-3-pyrazin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxa (4aS,5S)-N-(3-methoxypropyl)-3-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) 1.76 5.9 -11.24 1 7 0 71 381.48 6 ↓

Analogs

35894906
35894906
35894924
35894924
35894925
35894925
35894927
35894927
35894929
35894929

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5R)-N-isobutyl-8-nitro-3-pyrazin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxam (4aS,5R)-N-isobutyl-8-nitro-3-py…

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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) 2.56 8.6 -16.48 1 9 0 107 410.478 5 ↓

Analogs

35894924
35894924
35894925
35894925
35894927
35894927
35894929
35894929
35870446
35870446

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5S)-N-isobutyl-8-nitro-3-pyrazin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxam (4aS,5S)-N-isobutyl-8-nitro-3-py…

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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) 2.56 8.3 -13.91 1 9 0 107 410.478 5 ↓

Analogs

35894918
35894918

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5R)-N-(3-methoxypropyl)-8-nitro-3-pyrazin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5 (4aS,5R)-N-(3-methoxypropyl)-8-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) 1.69 6.9 -17.5 1 10 0 116 426.477 7 ↓

Analogs

35894916
35894916

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5S)-N-(3-methoxypropyl)-8-nitro-3-pyrazin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5 (4aS,5S)-N-(3-methoxypropyl)-8-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) 1.69 6.6 -15.12 1 10 0 116 426.477 7 ↓

Parameters Provided:

ring.id = 41950
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 = 41950 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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