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

Analogs

35893665
35893665
35893667
35893667
35893669
35893669

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]-pyrrolidin-1-yl-met [(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) 3.85 11.14 -9.91 0 4 0 27 379.479 2 ↓

Analogs

35893667
35893667
35893669
35893669
35893663
35893663

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]-pyrrolidin-1-yl-met [(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) 3.85 11.46 -13.87 0 4 0 27 379.479 2 ↓

Analogs

35893669
35893669
35893663
35893663
35893665
35893665

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]-pyrrolidin-1-yl-met [(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) 3.85 11.99 -9.58 0 4 0 27 379.479 2 ↓

Analogs

35893663
35893663
35893665
35893665
35893667
35893667

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]-pyrrolidin-1-yl-met [(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) 3.85 11.15 -12.21 0 4 0 27 379.479 2 ↓

Analogs

35893849
35893849
35893851
35893851
35893853
35893853

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,5S)-3-(2-chlorophenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-pyrrolidin-1-yl-met [(4aS,5S)-3-(2-chlorophenyl)-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) 4.36 11.83 -8.89 0 4 0 27 395.934 2 ↓

Analogs

35893851
35893851
35893853
35893853
35893848
35893848

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,5R)-3-(2-chlorophenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-pyrrolidin-1-yl-met [(4aS,5R)-3-(2-chlorophenyl)-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) 4.36 12.14 -11.89 0 4 0 27 395.934 2 ↓

Analogs

35893853
35893853
35893848
35893848
35893849
35893849

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aR,5S)-3-(2-chlorophenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-pyrrolidin-1-yl-met [(4aR,5S)-3-(2-chlorophenyl)-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) 4.36 12.69 -8.56 0 4 0 27 395.934 2 ↓

Analogs

35893848
35893848
35893849
35893849
35893851
35893851

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aR,5R)-3-(2-chlorophenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-pyrrolidin-1-yl-met [(4aR,5R)-3-(2-chlorophenyl)-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) 4.36 11.83 -10.37 0 4 0 27 395.934 2 ↓

Analogs

35893974
35893974
35893975
35893975
35893977
35893977

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,5S)-3-(4-fluorophenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-pyrrolidin-1-yl-met [(4aS,5S)-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) 3.90 10.69 -9.83 0 4 0 27 379.479 2 ↓

Analogs

35893975
35893975
35893977
35893977
35893972
35893972

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]-pyrrolidin-1-yl-met [(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) 3.90 11.01 -11.83 0 4 0 27 379.479 2 ↓

Analogs

35893977
35893977
35893972
35893972
35893974
35893974

Draw Identity 99% 90% 80% 70%

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

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Activity (Go SEA)

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) 3.90 11.55 -11.39 0 4 0 27 379.479 2 ↓

Analogs

35893972
35893972
35893974
35893974
35893975
35893975

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aR,5R)-3-(4-fluorophenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-pyrrolidin-1-yl-met [(4aR,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) 3.90 10.7 -9.87 0 4 0 27 379.479 2 ↓

Analogs

35554924
35554924
35554926
35554926
35554929
35554929
35554932
35554932

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aR,5S)-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-pyrrolidin-1-yl-methanone [(4aR,5S)-3-phenyl-1,2,4,4a,5,6-…

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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) 3.73 11.5 -11.24 0 4 0 27 361.489 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aR,5S)-3-(5-chloro-2-methoxy-phenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-pyrrolid [(4aR,5S)-3-(5-chloro-2-methoxy-…

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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) 4.39 12.62 -7.85 0 5 0 36 425.96 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aR,5S)-8-nitro-5-(pyrrolidine-1-carbonyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl]be 2-[(4aR,5S)-8-nitro-5-(pyrrolidi…

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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) 3.37 13.26 -14.36 0 8 0 96 431.496 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aR,5S)-8-nitro-3-(p-tolyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-pyrrolidin-1-yl-me [(4aR,5S)-8-nitro-3-(p-tolyl)-1,…

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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) 4.12 12.87 -14.52 0 7 0 73 420.513 3 ↓

Parameters Provided:

ring.id = 41572
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 = 41572 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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