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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

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Popular Name: (4aR,5S)-3-(2-methoxyphenyl)-N-(2-morpholinoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5- (4aR,5S)-3-(2-methoxyphenyl)-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) 2.97 7.43 -11.26 1 7 0 57 450.583 6 ↓

Analogs

35893888
35893888
35893890
35893890
35893892
35893892

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Popular Name: (4aS,5S)-3-(3-chlorophenyl)-N-(2-morpholinoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-c (4aS,5S)-3-(3-chlorophenyl)-N-(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) 3.62 7.43 -9.4 1 6 0 48 455.002 5 ↓

Analogs

35893890
35893890
35893892
35893892
35893886
35893886

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Popular Name: (4aS,5R)-3-(3-chlorophenyl)-N-(2-morpholinoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-c (4aS,5R)-3-(3-chlorophenyl)-N-(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) 3.62 7.73 -12.56 1 6 0 48 455.002 5 ↓

Analogs

35893892
35893892
35893886
35893886
35893888
35893888

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5S)-3-(3-chlorophenyl)-N-(2-morpholinoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-c (4aR,5S)-3-(3-chlorophenyl)-N-(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) 3.62 8.17 -11.93 1 6 0 48 455.002 5 ↓

Analogs

35893886
35893886
35893888
35893888
35893890
35893890

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5R)-3-(3-chlorophenyl)-N-(2-morpholinoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-c (4aR,5R)-3-(3-chlorophenyl)-N-(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) 3.62 7.41 -9.44 1 6 0 48 455.002 5 ↓

Analogs

35894090
35894090

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Popular Name: (4aR,5S)-3-(5-chloro-2-methoxy-phenyl)-N-(2-morpholinoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]qu (4aR,5S)-3-(5-chloro-2-methoxy-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) 3.62 7.95 -11.17 1 7 0 57 485.028 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5S)-3-(4-chlorophenyl)-N-(2-morpholinoethyl)-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quino (4aR,5S)-3-(4-chlorophenyl)-N-(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) 3.57 8.9 -15.87 1 9 0 94 499.999 6 ↓

Analogs

35555344
35555344

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5S)-3-(2-cyanophenyl)-N-(2-morpholinoethyl)-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinol (4aR,5S)-3-(2-cyanophenyl)-N-(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) 2.60 9.39 -16.69 1 10 0 118 490.564 6 ↓
Mid Mid (pH 6-8) 2.60 11.67 -59.39 2 10 1 119 491.572 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5S)-3-(5-chloro-2-methoxy-phenyl)-N-(2-morpholinoethyl)-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[ (4aR,5S)-3-(5-chloro-2-methoxy-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) 3.56 8.65 -14.6 1 10 0 103 530.025 7 ↓

Parameters Provided:

ring.id = 41612
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 = 41612 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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