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

Analogs

35893549
35893549
35893550
35893550
35893553
35893553

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5S)-3-(2-fluorophenyl)-N-(2-furylmethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carbo (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) 3.86 10.08 -9.9 1 5 0 49 405.473 4 ↓

Analogs

35893550
35893550
35893553
35893553
35893547
35893547

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5R)-3-(2-fluorophenyl)-N-(2-furylmethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carbo (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) 3.86 10.38 -13.05 1 5 0 49 405.473 4 ↓

Analogs

35893553
35893553
35893547
35893547
35893549
35893549

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5S)-3-(2-fluorophenyl)-N-(2-furylmethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carbo (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) 3.86 10.8 -9.18 1 5 0 49 405.473 4 ↓

Analogs

35893547
35893547
35893549
35893549
35893550
35893550

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5R)-3-(2-fluorophenyl)-N-(2-furylmethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carbo (4aR,5R)-3-(2-fluorophenyl)-N-(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) 3.86 10.08 -11.03 1 5 0 49 405.473 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5S)-3-(2-fluorophenyl)-N-(2-furylmethyl)-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline (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) 3.79 11.51 -13.57 1 8 0 95 450.47 5 ↓

Parameters Provided:

ring.id = 41429
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 = 41429 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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