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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (11bS)-2-[2-(2,4-dichlorophenoxy)acetyl]-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one (11bS)-2-[2-(2,4-dichlorophenoxy…

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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) 3.42 10.26 -15.9 0 5 0 50 405.281 3 ↓

Analogs

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Popular Name: (11bR)-2-[2-(2,4-dichlorophenoxy)acetyl]-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one (11bR)-2-[2-(2,4-dichlorophenoxy…

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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) 3.42 10.26 -15.87 0 5 0 50 405.281 3 ↓

Analogs

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Popular Name: (11bR)-2-[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]-3,6,7,11b-tetrahydro-1H-pyrazino[6,1-a]isoquinolin (11bR)-2-[2-(2,3,4,5,6-pentafluo…

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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) 2.66 9.64 -11.64 0 5 0 50 426.341 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (11bS)-2-[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]-3,6,7,11b-tetrahydro-1H-pyrazino[6,1-a]isoquinolin (11bS)-2-[2-(2,3,4,5,6-pentafluo…

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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) 2.66 9.63 -11.59 0 5 0 50 426.341 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.09 10.3 -11.58 0 5 0 50 440.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.09 10.29 -11.53 0 5 0 50 440.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,11bR)-7-methyl-2-[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]-3,6,7,11b-tetrahydro-1H-pyrazino[6,1-a (7S,11bR)-7-methyl-2-[2-(2,3,4,5…

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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) 2.99 10.1 -11.43 0 5 0 50 440.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,11bR)-7-methyl-2-[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]-3,6,7,11b-tetrahydro-1H-pyrazino[6,1-a (7R,11bR)-7-methyl-2-[2-(2,3,4,5…

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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) 2.99 10.46 -11.19 0 5 0 50 440.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,11bS)-7-methyl-2-[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]-3,6,7,11b-tetrahydro-1H-pyrazino[6,1-a (7S,11bS)-7-methyl-2-[2-(2,3,4,5…

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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) 2.99 10.44 -11.14 0 5 0 50 440.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,11bS)-7-methyl-2-[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]-3,6,7,11b-tetrahydro-1H-pyrazino[6,1-a (7R,11bS)-7-methyl-2-[2-(2,3,4,5…

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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) 2.99 10.11 -11.52 0 5 0 50 440.368 3 ↓

Parameters Provided:

ring.id = 52721
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 = 52721 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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