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

Analogs

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Popular Name: 4-[(11bS)-4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbonyl]-N,N-dimethyl-benzene 4-[(11bS)-4-oxo-3,6,7,11b-tetrah…

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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) 1.00 6.23 -17.92 0 7 0 78 413.499 3 ↓

Analogs

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Popular Name: 4-[(11bR)-4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbonyl]-N,N-dimethyl-benzene 4-[(11bR)-4-oxo-3,6,7,11b-tetrah…

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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) 1.00 6.25 -17.42 0 7 0 78 413.499 3 ↓

Analogs

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Popular Name: 4-[(11bS)-4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbonyl]-N,N-diethyl-benzenes 4-[(11bS)-4-oxo-3,6,7,11b-tetrah…

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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) 1.76 8 -17.37 0 7 0 78 441.553 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(11bR)-4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbonyl]-N,N-diethyl-benzenes 4-[(11bR)-4-oxo-3,6,7,11b-tetrah…

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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) 1.76 8.02 -16.84 0 7 0 78 441.553 5 ↓

Analogs

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Popular Name: (11bR)-9-methyl-2-(2,3,5,6-tetrafluorobenzoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[6,1-a]isoquinolin-4- (11bR)-9-methyl-2-(2,3,5,6-tetra…

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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) 2.56 9.28 -9.93 0 4 0 41 392.352 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (11bS)-9-methyl-2-(2,3,5,6-tetrafluorobenzoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[6,1-a]isoquinolin-4- (11bS)-9-methyl-2-(2,3,5,6-tetra…

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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) 2.56 9.27 -9.89 0 4 0 41 392.352 1 ↓

Parameters Provided:

ring.id = 52723
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 = 52723 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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