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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

28523690
28523690

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Popular Name: (3aS)-2-phenyl-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione (3aS)-2-phenyl-3a,4-dihydroimida…

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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) 2.79 8.26 -10.24 0 4 0 41 264.284 1 ↓

Analogs

28523690
28523690

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Popular Name: (3aR)-2-phenyl-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione (3aR)-2-phenyl-3a,4-dihydroimida…

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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) 2.79 8.28 -10.25 0 4 0 41 264.284 1 ↓

Analogs

9823595
9823595
9823591
9823591
9823415
9823415

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Popular Name: (3aS)-2-(3-chlorophenyl)-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione (3aS)-2-(3-chlorophenyl)-3a,4-di…

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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) 3.45 8.77 -10.12 0 4 0 41 298.729 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR)-2-(3-chlorophenyl)-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione (3aR)-2-(3-chlorophenyl)-3a,4-di…

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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) 3.45 8.76 -10.1 0 4 0 41 298.729 1 ↓

Analogs

28523690
28523690

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Popular Name: (3aS)-2-(m-tolyl)-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione (3aS)-2-(m-tolyl)-3a,4-dihydroim…

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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) 3.22 8.93 -10.3 0 4 0 41 278.311 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR)-2-(m-tolyl)-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione (3aR)-2-(m-tolyl)-3a,4-dihydroim…

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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) 3.22 8.94 -10.36 0 4 0 41 278.311 1 ↓

Analogs

10256333
10256333
10256331
10256331
9823558
9823558

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Popular Name: (3aS)-2-(2-chlorophenyl)-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione (3aS)-2-(2-chlorophenyl)-3a,4-di…

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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 9.2 -12.64 0 4 0 41 298.729 1 ↓

Analogs

10256333
10256333
10256331
10256331
9823558
9823558

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR)-2-(2-chlorophenyl)-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione (3aR)-2-(2-chlorophenyl)-3a,4-di…

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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 9.19 -12.62 0 4 0 41 298.729 1 ↓

Analogs

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Popular Name: (3aS)-2-(p-tolyl)-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione (3aS)-2-(p-tolyl)-3a,4-dihydroim…

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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) 3.24 8.94 -10.14 0 4 0 41 278.311 1 ↓

Analogs

28523690
28523690

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR)-2-(p-tolyl)-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione (3aR)-2-(p-tolyl)-3a,4-dihydroim…

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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) 3.24 8.95 -10.16 0 4 0 41 278.311 1 ↓

Analogs

9823701
9823701
9823695
9823695
9823495
9823495
9823490
9823490

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Popular Name: (3aS)-2-(2-fluorophenyl)-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione (3aS)-2-(2-fluorophenyl)-3a,4-di…

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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) 2.91 8.51 -13.93 0 4 0 41 282.274 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR)-2-(2-fluorophenyl)-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione (3aR)-2-(2-fluorophenyl)-3a,4-di…

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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) 2.91 8.51 -13.99 0 4 0 41 282.274 1 ↓

Analogs

28523690
28523690

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Popular Name: (3aS)-2-(4-fluorophenyl)-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione (3aS)-2-(4-fluorophenyl)-3a,4-di…

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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) 2.96 8.32 -8.4 0 4 0 41 282.274 1 ↓

Analogs

28523690
28523690

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR)-2-(4-fluorophenyl)-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione (3aR)-2-(4-fluorophenyl)-3a,4-di…

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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) 2.96 8.31 -8.41 0 4 0 41 282.274 1 ↓

Analogs

9823607
9823607
9823603
9823603
9823425
9823425
9823421
9823421

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Popular Name: (3aS)-2-(4-chlorophenyl)-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione (3aS)-2-(4-chlorophenyl)-3a,4-di…

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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) 3.47 8.78 -8.19 0 4 0 41 298.729 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR)-2-(4-chlorophenyl)-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione (3aR)-2-(4-chlorophenyl)-3a,4-di…

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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) 3.47 8.77 -8.18 0 4 0 41 298.729 1 ↓

Parameters Provided:

ring.id = 111568
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 = 111568 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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