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

Analogs

35894287
35894287
35894290
35894290
35894292
35894292

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5S)-N-(3-morpholinopropyl)-3-pyrazin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carb (4aS,5S)-N-(3-morpholinopropyl)-…

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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) 1.65 5.34 -13.93 1 8 0 74 436.56 6 ↓
Mid Mid (pH 6-8) 1.65 7.62 -50.63 2 8 1 75 437.568 6 ↓

Analogs

35894290
35894290
35894292
35894292
35894285
35894285

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5R)-N-(3-morpholinopropyl)-3-pyrazin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carb (4aS,5R)-N-(3-morpholinopropyl)-…

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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) 1.65 5.64 -13.69 1 8 0 74 436.56 6 ↓
Mid Mid (pH 6-8) 1.65 7.92 -49.52 2 8 1 75 437.568 6 ↓

Analogs

35894292
35894292
35894285
35894285
35894287
35894287

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5S)-N-(3-morpholinopropyl)-3-pyrazin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carb (4aR,5S)-N-(3-morpholinopropyl)-…

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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) 1.65 6.09 -13.52 1 8 0 74 436.56 6 ↓
Mid Mid (pH 6-8) 1.65 8.37 -48.01 2 8 1 75 437.568 6 ↓

Analogs

35894285
35894285
35894287
35894287
35894290
35894290

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5R)-N-(3-morpholinopropyl)-3-pyrazin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carb (4aR,5R)-N-(3-morpholinopropyl)-…

Find On: PubMed — Wikipedia — Google

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) 1.65 5.35 -13.92 1 8 0 74 436.56 6 ↓
Mid Mid (pH 6-8) 1.65 7.62 -50.51 2 8 1 75 437.568 6 ↓

Parameters Provided:

ring.id = 41957
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 = 41957 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=41957&filter.purchasability=annotated

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