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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[2-oxo-2-(prop-2-ynylamino)ethyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[2-oxo-2-(prop-2-ynylamino)eth…

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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) 0.45 5.09 -22.02 3 6 0 79 314.37 5 ↓

Analogs

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Popular Name: 1-[4-(dimethylamino)phenyl]-1H-imidazole-2-thiol 1-[4-(dimethylamino)phenyl]-1H-i…

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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) 1.36 7.66 -17.94 1 3 0 24 219.313 2 ↓

Analogs

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Popular Name: N-(2-acetamidoethyl)-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-(2-acetamidoethyl)-3-phenyl-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) -0.17 4.49 -22.89 3 6 0 79 304.375 5 ↓

Analogs

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Popular Name: N-methyl-4-(2-thioxo-1H-imidazol-3-yl)-N-[(1S)-1,2,2-trimethylpropyl]benzamide N-methyl-4-(2-thioxo-1H-imidazol…

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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) 2.25 10.57 -20.62 1 4 0 41 317.458 4 ↓

Analogs

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Popular Name: N-methyl-4-(2-thioxo-1H-imidazol-3-yl)-N-[(1R)-1,2,2-trimethylpropyl]benzamide N-methyl-4-(2-thioxo-1H-imidazol…

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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) 2.25 10.61 -21.97 1 4 0 41 317.458 4 ↓

Analogs

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Popular Name: 2-[[3-(4-methoxyphenyl)-2-thioxo-imidazol-1-yl]methyl-methyl-amino]-N-(3-methoxypropyl)acetamide 2-[[3-(4-methoxyphenyl)-2-thioxo…

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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) 1.26 6.61 -24.65 1 7 0 61 378.498 10 ↓
Mid Mid (pH 6-8) 1.26 8.77 -55.81 2 7 1 62 379.506 10 ↓

Analogs

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Popular Name: 2-[[3-(2,5-dimethylphenyl)-2-thioxo-imidazol-1-yl]methyl-methyl-amino]-N-(3-methoxypropyl)acetamide 2-[[3-(2,5-dimethylphenyl)-2-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) 2.45 9.01 -24.04 1 6 0 51 376.526 9 ↓
Mid Mid (pH 6-8) 2.45 11.33 -55.72 2 6 1 53 377.534 9 ↓

Analogs

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Popular Name: 2-[[3-(3-chloro-2-methyl-phenyl)-2-thioxo-imidazol-1-yl]methyl-methyl-amino]-N-(3-methoxypropyl)acet 2-[[3-(3-chloro-2-methyl-phenyl)…

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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) 2.44 8.77 -23.07 1 6 0 51 396.944 9 ↓
Mid Mid (pH 6-8) 2.44 11.08 -56.76 2 6 1 53 397.952 9 ↓

Analogs

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Popular Name: 1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazole-2-thiol 1-[2-fluoro-5-(trifluoromethyl)p…

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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 8.39 -18.01 1 2 0 21 262.231 2 ↓

Analogs

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Popular Name: 2-[[3-(m-tolyl)-2-thioxo-imidazol-1-yl]methyl-propyl-amino]acetonitrile 2-[[3-(m-tolyl)-2-thioxo-imidazo…

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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) 2.64 10.74 -17.6 0 4 0 37 300.431 6 ↓

Analogs

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Popular Name: 2-[[3-(3-methoxyphenyl)-2-thioxo-imidazol-1-yl]methyl-propyl-amino]acetonitrile 2-[[3-(3-methoxyphenyl)-2-thioxo…

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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) 2.25 9.38 -18.83 0 5 0 46 316.43 7 ↓

Analogs

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Popular Name: 1-(4-methoxyphenyl)-3-[[methyl(propyl)amino]methyl]imidazole-2-thione 1-(4-methoxyphenyl)-3-[[methyl(p…

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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) 2.27 8.89 -16 0 4 0 22 291.42 6 ↓
Mid Mid (pH 6-8) 2.27 11.12 -48.07 1 4 1 24 292.428 6 ↓

Analogs

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Popular Name: (2S)-2-methoxy-N-[3-(2-thioxo-1H-imidazol-3-yl)phenyl]propanamide (2S)-2-methoxy-N-[3-(2-thioxo-1H…

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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) 0.97 6.9 -24.92 2 5 0 59 277.349 4 ↓

Analogs

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Popular Name: (2R)-2-methoxy-N-[3-(2-thioxo-1H-imidazol-3-yl)phenyl]propanamide (2R)-2-methoxy-N-[3-(2-thioxo-1H…

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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) 0.97 6.91 -24.64 2 5 0 59 277.349 4 ↓

Analogs

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Popular Name: 1-methyl-3-[[4-(2-thioxo-1H-imidazol-3-yl)benzoyl]amino]urea 1-methyl-3-[[4-(2-thioxo-1H-imid…

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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) -0.14 3.85 -26.02 4 7 0 91 291.336 3 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-N-methyl-4-(2-thioxo-1H-imidazol-3-yl)benzamide N-(2-amino-2-oxo-ethyl)-N-methyl…

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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) -1.05 4.45 -27.66 3 6 0 84 290.348 4 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-N-methyl-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-(2-amino-2-oxo-ethyl)-N-methyl…

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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) -0.34 4.52 -22.12 3 6 0 84 290.348 4 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-4-(2-thioxo-1H-imidazol-3-yl)benzamide N-(2-bromoallyl)-4-(2-thioxo-1H-…

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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) 1.56 7.54 -20.43 2 4 0 50 338.23 4 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-(2-bromoallyl)-3-phenyl-2-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) 1.80 7.28 -20.9 2 4 0 50 338.23 4 ↓

Analogs

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Popular Name: 1-(4-butylphenyl)imidazole-2-thiol 1-(4-butylphenyl)imidazole-2-thiol

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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) 3.12 10.24 -16.96 1 2 0 21 232.352 4 ↓

Analogs

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Popular Name: 1-(4-propylphenyl)imidazole-2-thiol 1-(4-propylphenyl)imidazole-2-thiol

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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 9.46 -16.96 1 2 0 21 218.325 3 ↓

Analogs

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Popular Name: 1-(3-fluoro-4-methoxy-phenyl)imidazole-2-thiol 1-(3-fluoro-4-methoxy-phenyl)imi…

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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) 1.62 6.6 -21.23 1 3 0 30 224.26 2 ↓

Analogs

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Popular Name: N-(cyanomethyl)-N-ethyl-4-(2-thioxo-1H-imidazol-3-yl)benzamide N-(cyanomethyl)-N-ethyl-4-(2-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) 0.38 8.65 -26.75 1 5 0 65 286.36 4 ↓

Analogs

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Popular Name: N-isobutyl-N-methyl-4-(2-thioxo-1H-imidazol-3-yl)benzamide N-isobutyl-N-methyl-4-(2-thioxo-…

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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) 1.34 9.36 -20.87 1 4 0 41 289.404 4 ↓

Analogs

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Popular Name: 1-[3-(methoxymethyl)phenyl]imidazole-2-thiol 1-[3-(methoxymethyl)phenyl]imida…

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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) 1.40 6.96 -18.29 1 3 0 30 220.297 3 ↓

Analogs

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Popular Name: 1-[2-(methoxymethyl)phenyl]imidazole-2-thiol 1-[2-(methoxymethyl)phenyl]imida…

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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) 1.37 7.35 -18.02 1 3 0 30 220.297 3 ↓

Analogs

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Popular Name: 1-(4-methoxy-3-methyl-phenyl)imidazole-2-thiol 1-(4-methoxy-3-methyl-phenyl)imi…

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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) 1.90 7.27 -17.78 1 3 0 30 220.297 2 ↓

Analogs

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Popular Name: 1-(2-propylphenyl)imidazole-2-thiol 1-(2-propylphenyl)imidazole-2-thiol

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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) 2.72 9.24 -15.7 1 2 0 21 218.325 3 ↓

Analogs

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Popular Name: 1-(3-ethoxyphenyl)imidazole-2-thiol 1-(3-ethoxyphenyl)imidazole-2-thiol

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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) 1.88 7.46 -20.21 1 3 0 30 220.297 3 ↓

Analogs

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Popular Name: 1-(5-bromo-2-methoxy-phenyl)imidazole-2-thiol 1-(5-bromo-2-methoxy-phenyl)imid…

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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) 2.47 7.29 -18.28 1 3 0 30 285.166 2 ↓

Analogs

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Popular Name: 1-(4-fluoro-2-methoxy-phenyl)imidazole-2-thiol 1-(4-fluoro-2-methoxy-phenyl)imi…

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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) 1.62 6.73 -17.97 1 3 0 30 224.26 2 ↓

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