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

Analogs

35893800
35893800
35869804
35869804
35869805
35869805
35869806
35869806
35869807
35869807

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5R)-N-isopropyl-3-(2-pyridyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide (4aS,5R)-N-isopropyl-3-(2-pyridy…

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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) 2.86 9.37 -35.01 2 5 1 50 351.474 3 ↓
Mid Mid (pH 6-8) 2.86 9.05 -12.66 1 5 0 48 350.466 3 ↓

Analogs

35869808
35869808
35869809
35869809
35893799
35893799
35869804
35869804
35869805
35869805

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5S)-N-isopropyl-3-(2-pyridyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide (4aS,5S)-N-isopropyl-3-(2-pyridy…

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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) 2.86 9.08 -28.6 2 5 1 50 351.474 3 ↓
Mid Mid (pH 6-8) 2.86 8.78 -9.59 1 5 0 48 350.466 3 ↓

Analogs

35894581
35894581
35870251
35870251
35870252
35870252
35555225
35555225
35555222
35555222

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5R)-N-isobutyl-8-nitro-3-(2-pyridyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxami (4aS,5R)-N-isobutyl-8-nitro-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) 3.24 10.78 -45.05 2 8 1 96 410.498 5 ↓
Mid Mid (pH 6-8) 3.24 10.46 -15.91 1 8 0 94 409.49 5 ↓

Analogs

35870251
35870251
35870252
35870252
35894579
35894579
35555225
35555225
35555222
35555222

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5S)-N-isobutyl-8-nitro-3-(2-pyridyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxami (4aS,5S)-N-isobutyl-8-nitro-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) 3.24 10.48 -37.89 2 8 1 96 410.498 5 ↓
Mid Mid (pH 6-8) 3.24 10.18 -12.27 1 8 0 94 409.49 5 ↓

Analogs

35894587
35894587

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5R)-N-(3-methoxypropyl)-8-nitro-3-(2-pyridyl)-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) 2.38 9.08 -46.46 2 9 1 105 426.497 7 ↓
Mid Mid (pH 6-8) 2.38 8.77 -16.75 1 9 0 104 425.489 7 ↓

Analogs

35894585
35894585

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5S)-N-(3-methoxypropyl)-8-nitro-3-(2-pyridyl)-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) 2.38 8.79 -39.94 2 9 1 105 426.497 7 ↓
Mid Mid (pH 6-8) 2.38 8.49 -13.56 1 9 0 104 425.489 7 ↓

Parameters Provided:

ring.id = 41678
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 = 41678 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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