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Analogs

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Popular Name: (4aR)-8-fluoro-3-(4-pyridylmethyl)-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one (4aR)-8-fluoro-3-(4-pyridylmethy…

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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) 1.16 3.81 -8.01 1 5 0 48 312.348 2 ↓
Lo Low (pH 4.5-6) 1.16 6.09 -49.73 2 5 1 50 313.356 2 ↓

Analogs

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Popular Name: (4aS)-8-fluoro-3-(4-pyridylmethyl)-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one (4aS)-8-fluoro-3-(4-pyridylmethy…

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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) 1.16 3.8 -8.02 1 5 0 48 312.348 2 ↓
Lo Low (pH 4.5-6) 1.16 6.09 -49.69 2 5 1 50 313.356 2 ↓

Analogs

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Popular Name: (4aR)-6-methyl-3-(4-pyridylmethyl)-1,2,4,4a-tetrahydropyrazino[1,2-a]quinoxalin-5-one (4aR)-6-methyl-3-(4-pyridylmethy…

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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) 1.26 5.5 -8.48 0 5 0 40 308.385 2 ↓
Lo Low (pH 4.5-6) 1.26 7.78 -45.76 1 5 1 41 309.393 2 ↓
Lo Low (pH 4.5-6) 1.26 5.96 -39.96 1 5 1 41 309.393 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR)-3-(4-pyridylmethyl)-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one (4aR)-3-(4-pyridylmethyl)-2,4,4a…

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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) 1.02 3.74 -8.05 1 5 0 48 294.358 2 ↓
Lo Low (pH 4.5-6) 1.02 6.02 -45.81 2 5 1 50 295.366 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS)-3-(4-pyridylmethyl)-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one (4aS)-3-(4-pyridylmethyl)-2,4,4a…

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) 1.02 3.73 -8.01 1 5 0 48 294.358 2 ↓
Lo Low (pH 4.5-6) 1.02 6.02 -45.83 2 5 1 50 295.366 2 ↓

Parameters Provided:

ring.id = 197579
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 = 197579 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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