UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2788726
2788726
2788727
2788727
2788728
2788728

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Popular Name: (7aS)-2-[[(2R)-tetrahydrofuran-2-yl]methyl]-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aS)-2-[[(2R)-tetrahydrofuran-2…

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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) 0.73 5.55 -12.75 0 4 0 33 240.328 2 ↓

Analogs

2788727
2788727
2788728
2788728
2788725
2788725

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Popular Name: (7aR)-2-[[(2R)-tetrahydrofuran-2-yl]methyl]-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aR)-2-[[(2R)-tetrahydrofuran-2…

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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) 0.73 5.47 -13.29 0 4 0 33 240.328 2 ↓

Analogs

2788728
2788728
2788725
2788725
2788726
2788726

Draw Identity 99% 90% 80% 70%

Popular Name: (7aS)-2-[[(2S)-tetrahydrofuran-2-yl]methyl]-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aS)-2-[[(2S)-tetrahydrofuran-2…

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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) 0.73 5.39 -12.29 0 4 0 33 240.328 2 ↓

Analogs

2788725
2788725
2788726
2788726

Draw Identity 99% 90% 80% 70%

Popular Name: (7aR)-2-[[(2S)-tetrahydrofuran-2-yl]methyl]-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aR)-2-[[(2S)-tetrahydrofuran-2…

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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) 0.73 5.47 -12.58 0 4 0 33 240.328 2 ↓

Analogs

2788745
2788745
25490142
25490142
25490146
25490146

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Popular Name: (7aR)-2-isobutyl-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aR)-2-isobutyl-3-thioxo-5,6,7,…

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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) 1.47 -1.56 -10.89 0 3 0 23 212.318 2 ↓

Analogs

25490142
25490142
25490146
25490146
2788744
2788744

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Popular Name: (7aS)-2-isobutyl-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aS)-2-isobutyl-3-thioxo-5,6,7,…

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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) 1.47 -1.45 -10.2 0 3 0 23 212.318 2 ↓

Analogs

2788747
2788747

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Popular Name: (7aR)-2-(2,5-dichlorophenyl)-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aR)-2-(2,5-dichlorophenyl)-3-t…

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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) 3.33 8.95 -13.76 0 3 0 24 301.198 1 ↓

Analogs

2788746
2788746

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Popular Name: (7aS)-2-(2,5-dichlorophenyl)-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aS)-2-(2,5-dichlorophenyl)-3-t…

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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) 3.33 8.94 -14.06 0 3 0 24 301.198 1 ↓

Analogs

2788875
2788875
2788876
2788876

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Popular Name: (7aR)-2-(2,4-dimethoxyphenyl)-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aR)-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) 2.09 -1.25 -17.12 0 5 0 42 292.36 3 ↓

Analogs

2788875
2788875
2788876
2788876

Draw Identity 99% 90% 80% 70%

Popular Name: (7aS)-2-(2,4-dimethoxyphenyl)-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aS)-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) 2.09 -1.26 -17.08 0 5 0 42 292.36 3 ↓

Analogs

2788876
2788876
2788819
2788819
2788820
2788820

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Popular Name: (7aR)-2-(2-methoxyphenyl)-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aR)-2-(2-methoxyphenyl)-3-thio…

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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) 2.06 -1.26 -17.05 0 4 0 32 262.334 2 ↓

Analogs

2788819
2788819
2788820
2788820

Draw Identity 99% 90% 80% 70%

Popular Name: (7aS)-2-(2-methoxyphenyl)-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aS)-2-(2-methoxyphenyl)-3-thio…

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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) 2.06 -1.27 -16.96 0 4 0 32 262.334 2 ↓

Analogs

2788920
2788920

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Popular Name: (7aR)-2-phenethyl-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aR)-2-phenethyl-3-thioxo-5,6,7…

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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) 2.15 -1.56 -12.02 0 3 0 23 260.362 3 ↓

Analogs

2788919
2788919

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Popular Name: (7aS)-2-phenethyl-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aS)-2-phenethyl-3-thioxo-5,6,7…

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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) 2.15 -1.61 -11.68 0 3 0 23 260.362 3 ↓

Analogs

2789463
2789463

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Popular Name: (7aR)-2-(2,4-dimethylphenyl)-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aR)-2-(2,4-dimethylphenyl)-3-t…

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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) 2.87 9.31 -14.67 0 3 0 24 260.362 1 ↓

Analogs

2789462
2789462

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Popular Name: (7aS)-2-(2,4-dimethylphenyl)-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aS)-2-(2,4-dimethylphenyl)-3-t…

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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) 2.87 9.3 -14.8 0 3 0 24 260.362 1 ↓

Analogs

2789489
2789489
2789490
2789490
2789491
2789491

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Popular Name: (7aR)-2-[(1S)-1-phenylethyl]-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aR)-2-[(1S)-1-phenylethyl]-3-t…

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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) 2.31 -0.93 -11.73 0 3 0 23 260.362 2 ↓

Analogs

2789490
2789490
2789491
2789491
2789488
2789488

Draw Identity 99% 90% 80% 70%

Popular Name: (7aR)-2-[(1R)-1-phenylethyl]-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aR)-2-[(1R)-1-phenylethyl]-3-t…

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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) 2.31 -1.29 -12.95 0 3 0 23 260.362 2 ↓

Analogs

2789491
2789491
2789488
2789488
2789489
2789489

Draw Identity 99% 90% 80% 70%

Popular Name: (7aS)-2-[(1S)-1-phenylethyl]-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aS)-2-[(1S)-1-phenylethyl]-3-t…

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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) 2.31 -1.39 -12.42 0 3 0 23 260.362 2 ↓

Analogs

2789488
2789488
2789489
2789489

Draw Identity 99% 90% 80% 70%

Popular Name: (7aS)-2-[(1R)-1-phenylethyl]-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aS)-2-[(1R)-1-phenylethyl]-3-t…

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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) 2.31 -0.94 -11.65 0 3 0 23 260.362 2 ↓

Analogs

2789520
2789520

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Popular Name: (7aR)-2-p-phenetyl-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aR)-2-p-phenetyl-3-thioxo-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) 2.48 7.85 -14.64 0 4 0 33 276.361 3 ↓

Analogs

2789519
2789519

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Popular Name: (7aS)-2-p-phenetyl-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aS)-2-p-phenetyl-3-thioxo-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) 2.48 7.84 -14.75 0 4 0 33 276.361 3 ↓

Analogs

2789635
2789635

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Popular Name: (7aR)-2-(2,3-dimethylphenyl)-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aR)-2-(2,3-dimethylphenyl)-3-t…

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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) 2.85 9.08 -14.93 0 3 0 24 260.362 1 ↓

Analogs

2789634
2789634

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Popular Name: (7aS)-2-(2,3-dimethylphenyl)-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aS)-2-(2,3-dimethylphenyl)-3-t…

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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) 2.85 9.07 -15.03 0 3 0 24 260.362 1 ↓

Analogs

2789713
2789713

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Popular Name: 4-[(7aR)-1-keto-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-2-yl]benzoic-acid-ethyl-ester 4-[(7aR)-1-keto-3-thioxo-5,6,7,7…

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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) 2.60 9.2 -15.51 0 5 0 50 304.371 4 ↓

Analogs

2789712
2789712

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(7aS)-1-keto-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-2-yl]benzoic-acid-ethyl-ester 4-[(7aS)-1-keto-3-thioxo-5,6,7,7…

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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) 2.60 9.19 -15.79 0 5 0 50 304.371 4 ↓

Analogs

2789750
2789750

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Popular Name: (7aR)-2-(o-tolyl)-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aR)-2-(o-tolyl)-3-thioxo-5,6,7…

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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) 2.45 8.64 -14.78 0 3 0 24 246.335 1 ↓

Analogs

2789749
2789749

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Popular Name: (7aS)-2-(o-tolyl)-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aS)-2-(o-tolyl)-3-thioxo-5,6,7…

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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) 2.45 8.63 -14.88 0 3 0 24 246.335 1 ↓

Analogs

2790270
2790270

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Popular Name: (7aR)-2-[2-(3,4-diethoxyphenyl)ethyl]-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aR)-2-[2-(3,4-diethoxyphenyl)e…

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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) 2.55 -1.22 -15.02 0 5 0 42 348.468 7 ↓

Analogs

2790269
2790269

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Popular Name: (7aS)-2-[2-(3,4-diethoxyphenyl)ethyl]-3-thioxo-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazol-1-one (7aS)-2-[2-(3,4-diethoxyphenyl)e…

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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) 2.55 -1.24 -14.84 0 5 0 42 348.468 7 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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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 = 236306 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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