UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2788774
2788774

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Popular Name: (10aS)-2-(2,5-dichlorophenyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aS)-2-(2,5-dichlorophenyl)-3-…

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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) 4.32 -0.48 -11.05 0 3 0 23 363.269 1 ↓

Analogs

2788773
2788773

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Popular Name: (10aR)-2-(2,5-dichlorophenyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aR)-2-(2,5-dichlorophenyl)-3-…

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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) 4.32 12.22 -11.08 0 3 0 24 363.269 1 ↓

Analogs

2788946
2788946

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Popular Name: (10aR)-2-(2,4-dimethoxyphenyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aR)-2-(2,4-dimethoxyphenyl)-3…

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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) 3.08 -0.31 -13.98 0 5 0 42 354.431 3 ↓

Analogs

2788945
2788945

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Popular Name: (10aS)-2-(2,4-dimethoxyphenyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aS)-2-(2,4-dimethoxyphenyl)-3…

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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) 3.08 -0.3 -14.3 0 5 0 42 354.431 3 ↓

Analogs

2788982
2788982

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Popular Name: (10aR)-2-(2-methoxyphenyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aR)-2-(2-methoxyphenyl)-3-thi…

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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) 3.04 -0.33 -13.87 0 4 0 32 324.405 2 ↓

Analogs

2788981
2788981

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Popular Name: (10aS)-2-(2-methoxyphenyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aS)-2-(2-methoxyphenyl)-3-thi…

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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) 3.04 -0.32 -14.15 0 4 0 32 324.405 2 ↓

Analogs

2789482
2789482

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Popular Name: (10aR)-2-(3-methoxyphenyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aR)-2-(3-methoxyphenyl)-3-thi…

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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) 3.07 -0.46 -13.67 0 4 0 32 324.405 2 ↓

Analogs

2789481
2789481

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Popular Name: (10aS)-2-(3-methoxyphenyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aS)-2-(3-methoxyphenyl)-3-thi…

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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) 3.07 -0.48 -13.59 0 4 0 32 324.405 2 ↓

Analogs

2789619
2789619

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Popular Name: 2-[(10aR)-1-keto-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]benzoic-acid-methyl-ester 2-[(10aR)-1-keto-3-thioxo-10,10a…

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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) 3.34 0.95 -16.17 0 5 0 49 352.415 3 ↓

Analogs

2789618
2789618

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Popular Name: 2-[(10aS)-1-keto-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]benzoic-acid-methyl-ester 2-[(10aS)-1-keto-3-thioxo-10,10a…

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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) 3.34 0.96 -15.65 0 5 0 49 352.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (10aR)-2-(2,5-dimethylphenyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aR)-2-(2,5-dimethylphenyl)-3-…

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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) 3.86 12.48 -11.85 0 3 0 24 322.433 1 ↓

Analogs

2789828
2789828
2789829
2789829

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Popular Name: (10aS)-2-(2,5-dimethylphenyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aS)-2-(2,5-dimethylphenyl)-3-…

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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) 3.86 12.48 -11.78 0 3 0 24 322.433 1 ↓

Analogs

2789829
2789829
2789708
2789708

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Popular Name: (10aR)-2-(2,3-dimethylphenyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aR)-2-(2,3-dimethylphenyl)-3-…

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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) 3.84 12.67 -11.99 0 3 0 24 322.433 1 ↓

Analogs

2789708
2789708
2789828
2789828

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Popular Name: (10aS)-2-(2,3-dimethylphenyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aS)-2-(2,3-dimethylphenyl)-3-…

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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) 3.84 0.44 -11.91 0 3 0 23 322.433 1 ↓

Analogs

2789864
2789864

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Popular Name: (10aR)-2-o-phenetyl-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aR)-2-o-phenetyl-3-thioxo-10,…

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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 -0.31 -13.74 0 4 0 32 338.432 3 ↓

Analogs

2789863
2789863

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Popular Name: (10aS)-2-o-phenetyl-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aS)-2-o-phenetyl-3-thioxo-10,…

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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 -0.3 -14.03 0 4 0 32 338.432 3 ↓

Analogs

2789885
2789885
424676
424676
424675
424675

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Popular Name: (10aR)-2-(2,4-dimethylphenyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aR)-2-(2,4-dimethylphenyl)-3-…

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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) 3.86 0.51 -11.63 0 3 0 23 322.433 1 ↓

Analogs

2789884
2789884
424676
424676

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Popular Name: (10aS)-2-(2,4-dimethylphenyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aS)-2-(2,4-dimethylphenyl)-3-…

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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) 3.86 0.53 -11.62 0 3 0 23 322.433 1 ↓

Analogs

2789924
2789924
424676
424676
424675
424675

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Popular Name: (10aR)-2-(o-tolyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aR)-2-(o-tolyl)-3-thioxo-10,1…

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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) 3.44 0.14 -11.8 0 3 0 23 308.406 1 ↓

Analogs

2789923
2789923
424676
424676

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Popular Name: (10aS)-2-(o-tolyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aS)-2-(o-tolyl)-3-thioxo-10,1…

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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) 3.44 0.21 -11.7 0 3 0 23 308.406 1 ↓

Analogs

2789939
2789939
424674
424674
424673
424673

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Popular Name: (10aR)-2-(m-tolyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aR)-2-(m-tolyl)-3-thioxo-10,1…

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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) 3.46 -0.15 -11.61 0 3 0 23 308.406 1 ↓

Analogs

2789938
2789938
424674
424674

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Popular Name: (10aS)-2-(m-tolyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aS)-2-(m-tolyl)-3-thioxo-10,1…

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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) 3.46 -0.18 -11.57 0 3 0 23 308.406 1 ↓

Analogs

2789969
2789969

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Popular Name: (10aR)-2-p-phenetyl-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aR)-2-p-phenetyl-3-thioxo-10,…

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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 -0.47 -11.49 0 4 0 32 338.432 3 ↓

Analogs

2789968
2789968

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Popular Name: (10aS)-2-p-phenetyl-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aS)-2-p-phenetyl-3-thioxo-10,…

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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 -0.45 -11.54 0 4 0 32 338.432 3 ↓

Analogs

2790001
2790001
2790062
2790062
2790063
2790063
2797078
2797078
2797079
2797079

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Popular Name: (10aR)-2-(p-tolyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aR)-2-(p-tolyl)-3-thioxo-10,1…

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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) 3.48 -0.17 -11.38 0 3 0 23 308.406 1 ↓

Analogs

2790062
2790062
2790063
2790063
2797078
2797078
2797079
2797079
2790000
2790000

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Popular Name: (10aS)-2-(p-tolyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aS)-2-(p-tolyl)-3-thioxo-10,1…

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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) 3.48 -0.15 -11.39 0 3 0 23 308.406 1 ↓

Analogs

2790034
2790034

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Popular Name: (10aR)-2-(2-ethylphenyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aR)-2-(2-ethylphenyl)-3-thiox…

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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) 3.90 0.2 -11.45 0 3 0 23 322.433 2 ↓

Analogs

2790033
2790033

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Popular Name: (10aS)-2-(2-ethylphenyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aS)-2-(2-ethylphenyl)-3-thiox…

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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) 3.90 0.31 -10.99 0 3 0 23 322.433 2 ↓

Analogs

2790063
2790063
2797078
2797078
2797079
2797079
2790000
2790000
2790001
2790001

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Popular Name: (10aR)-2-(4-ethylphenyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aR)-2-(4-ethylphenyl)-3-thiox…

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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) 3.95 -0.02 -11.07 0 3 0 23 322.433 2 ↓

Analogs

2797078
2797078
2797079
2797079
2790000
2790000
2790001
2790001

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Popular Name: (10aS)-2-(4-ethylphenyl)-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one (10aS)-2-(4-ethylphenyl)-3-thiox…

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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) 3.95 0 -11.09 0 3 0 23 322.433 2 ↓

Analogs

2790162
2790162

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Popular Name: 4-[(10aR)-1-keto-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]benzoic-acid-ethyl-ester 4-[(10aR)-1-keto-3-thioxo-10,10a…

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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) 3.58 0.61 -12.98 0 5 0 49 366.442 4 ↓

Analogs

2790161
2790161

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Popular Name: 4-[(10aS)-1-keto-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]benzoic-acid-ethyl-ester 4-[(10aS)-1-keto-3-thioxo-10,10a…

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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) 3.58 0.63 -12.62 0 5 0 49 366.442 4 ↓

Analogs

2797079
2797079
2790000
2790000
2790001
2790001

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Popular Name: 2-phenyl-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one 2-phenyl-3-thioxo-2,3,10,10a-tet…

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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) 3.04 -0.48 -11.53 0 3 0 23 294.379 1 ↓

Analogs

2790000
2790000
2790001
2790001

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Popular Name: 2-phenyl-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one 2-phenyl-3-thioxo-2,3,10,10a-tet…

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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) 3.04 -0.51 -11.5 0 3 0 23 294.379 1 ↓

Parameters Provided:

ring.id = 236328
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 = 236328 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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