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

Analogs

35893532
35893532
35893534
35893534
35893536
35893536

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5S)-3-(2-fluorophenyl)-N-[2-(2-pyridyl)ethyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5- (4aS,5S)-3-(2-fluorophenyl)-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) 3.83 10.94 -14.26 1 5 0 48 430.527 5 ↓
Lo Low (pH 4.5-6) 3.83 11.3 -41.32 2 5 1 50 431.535 5 ↓

Analogs

35893534
35893534
35893536
35893536
35893529
35893529

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5R)-3-(2-fluorophenyl)-N-[2-(2-pyridyl)ethyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5- (4aS,5R)-3-(2-fluorophenyl)-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) 3.83 11.25 -18.16 1 5 0 48 430.527 5 ↓
Lo Low (pH 4.5-6) 3.83 11.61 -41.57 2 5 1 50 431.535 5 ↓

Analogs

35893536
35893536
35893529
35893529
35893532
35893532

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5S)-3-(2-fluorophenyl)-N-[2-(2-pyridyl)ethyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5- (4aR,5S)-3-(2-fluorophenyl)-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) 3.83 11.67 -12.47 1 5 0 48 430.527 5 ↓
Lo Low (pH 4.5-6) 3.83 12.02 -40.42 2 5 1 50 431.535 5 ↓

Analogs

35893529
35893529
35893532
35893532
35893534
35893534

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5R)-3-(2-fluorophenyl)-N-[2-(2-pyridyl)ethyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5- (4aR,5R)-3-(2-fluorophenyl)-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) 3.83 10.95 -15.32 1 5 0 48 430.527 5 ↓
Lo Low (pH 4.5-6) 3.83 11.3 -42.81 2 5 1 50 431.535 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5S)-3-(2-fluorophenyl)-8-nitro-N-[2-(2-pyridyl)ethyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quin (4aR,5S)-3-(2-fluorophenyl)-8-ni…

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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) 3.77 12.39 -17.1 1 8 0 94 475.524 6 ↓
Lo Low (pH 4.5-6) 3.77 12.74 -41.6 2 8 1 96 476.532 6 ↓

Parameters Provided:

ring.id = 41404
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 = 41404 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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