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

Analogs

35894027
35894027
35543483
35543483
35543485
35543485
35543466
35543466
35543468
35543468

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5R)-3-(furan-2-carbonyl)-N-isopropyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxami (4aS,5R)-3-(furan-2-carbonyl)-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) 2.35 7.31 -15.69 1 6 0 66 367.449 3 ↓

Analogs

35894025
35894025
35543483
35543483
35543485
35543485
35543466
35543466
35543468
35543468

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5S)-3-(furan-2-carbonyl)-N-isopropyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxami (4aS,5S)-3-(furan-2-carbonyl)-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) 2.35 7.14 -15.94 1 6 0 66 367.449 3 ↓

Analogs

35894038
35894038

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5R)-3-(furan-2-carbonyl)-N-(3-methoxypropyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-c (4aS,5R)-3-(furan-2-carbonyl)-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) 1.93 6.34 -16.26 1 7 0 75 397.475 6 ↓

Analogs

35894036
35894036

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5S)-3-(furan-2-carbonyl)-N-(3-methoxypropyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-c (4aS,5S)-3-(furan-2-carbonyl)-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) 1.93 6.14 -16.32 1 7 0 75 397.475 6 ↓

Analogs

35894694
35894694
35894706
35894706
35894708
35894708
35870322
35870322
35870323
35870323

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5R)-3-(furan-2-carbonyl)-N-isobutyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-ca (4aS,5R)-3-(furan-2-carbonyl)-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) 2.74 8.73 -19.42 1 9 0 112 426.473 5 ↓

Analogs

35894706
35894706
35894708
35894708
35870322
35870322
35870323
35870323
35870324
35870324

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5S)-3-(furan-2-carbonyl)-N-isobutyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-ca (4aS,5S)-3-(furan-2-carbonyl)-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) 2.74 8.55 -19.27 1 9 0 112 426.473 5 ↓

Analogs

35894698
35894698

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5R)-3-(furan-2-carbonyl)-N-(3-methoxypropyl)-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quino (4aS,5R)-3-(furan-2-carbonyl)-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) 1.87 7.03 -20.28 1 10 0 121 442.472 7 ↓

Analogs

35894696
35894696

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5S)-3-(furan-2-carbonyl)-N-(3-methoxypropyl)-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quino (4aS,5S)-3-(furan-2-carbonyl)-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) 1.87 6.85 -20.15 1 10 0 121 442.472 7 ↓

Analogs

35894708
35894708
35870322
35870322
35870323
35870323
35870324
35870324
35870325
35870325

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5R)-3-(furan-2-carbonyl)-N-isopentyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-c (4aS,5R)-3-(furan-2-carbonyl)-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) 3.27 9.26 -19.41 1 9 0 112 440.5 6 ↓

Analogs

35870322
35870322
35870323
35870323
35870324
35870324
35870325
35870325
35870330
35870330

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5S)-3-(furan-2-carbonyl)-N-isopentyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-c (4aS,5S)-3-(furan-2-carbonyl)-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) 3.27 9.07 -19.39 1 9 0 112 440.5 6 ↓

Parameters Provided:

ring.id = 41828
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 = 41828 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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