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

Analogs

35893673
35893673
35893675
35893675
35893677
35893677

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,5S)-3-(2-fluorophenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-morpholino-methanon [(4aS,5S)-3-(2-fluorophenyl)-1,2…

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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) 3.29 9.52 -9.85 0 5 0 36 395.478 2 ↓

Analogs

35893675
35893675
35893677
35893677
35893671
35893671

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,5R)-3-(2-fluorophenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-morpholino-methanon [(4aS,5R)-3-(2-fluorophenyl)-1,2…

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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) 3.29 9.76 -13.92 0 5 0 36 395.478 2 ↓

Analogs

35893677
35893677
35893671
35893671
35893673
35893673

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aR,5S)-3-(2-fluorophenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-morpholino-methanon [(4aR,5S)-3-(2-fluorophenyl)-1,2…

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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) 3.29 10.02 -9.37 0 5 0 36 395.478 2 ↓

Analogs

35893671
35893671
35893673
35893673
35893675
35893675

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aR,5R)-3-(2-fluorophenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-morpholino-methanon [(4aR,5R)-3-(2-fluorophenyl)-1,2…

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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) 3.29 9.46 -11.91 0 5 0 36 395.478 2 ↓

Analogs

35893986
35893986

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Popular Name: [(4aS,5R)-3-(4-fluorophenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-[(2S,6S)-2,6-dimeth [(4aS,5R)-3-(4-fluorophenyl)-1,2…

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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) 4.07 10.95 -11.65 0 5 0 36 423.532 2 ↓

Analogs

35893984
35893984

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,5R)-3-(4-fluorophenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-[(2R,6R)-2,6-dimeth [(4aS,5R)-3-(4-fluorophenyl)-1,2…

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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) 4.07 10.95 -11.22 0 5 0 36 423.532 2 ↓

Analogs

35894542
35894542

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,5R)-3-(2-methoxyphenyl)-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-[(2S,6S)-2 [(4aS,5R)-3-(2-methoxyphenyl)-8-…

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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) 3.85 11.5 -14.67 0 9 0 91 480.565 4 ↓

Analogs

35894540
35894540

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,5R)-3-(2-methoxyphenyl)-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-[(2R,6R)-2 [(4aS,5R)-3-(2-methoxyphenyl)-8-…

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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) 3.85 11.56 -14.14 0 9 0 91 480.565 4 ↓

Parameters Provided:

ring.id = 41579
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 = 41579 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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