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Analogs

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Popular Name: (1R)-1-(1,3-benzothiazol-2-yl)-1-phenyl-ethanamine (1R)-1-(1,3-benzothiazol-2-yl)-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) 3.51 6.47 -6.6 2 2 0 39 254.358 2 ↓
Mid Mid (pH 6-8) 3.51 6.69 -46.18 3 2 1 41 255.366 2 ↓

Analogs

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Popular Name: (1S)-1-(1,3-benzothiazol-2-yl)-1-phenyl-ethanamine (1S)-1-(1,3-benzothiazol-2-yl)-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) 3.51 6.43 -7.46 2 2 0 39 254.358 2 ↓
Mid Mid (pH 6-8) 3.51 6.7 -46.21 3 2 1 41 255.366 2 ↓

Analogs

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Popular Name: (1R)-1-(5-chloro-1,3-benzothiazol-2-yl)-1-phenyl-ethanamine (1R)-1-(5-chloro-1,3-benzothiazo…

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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) 4.17 6.97 -5.6 2 2 0 39 288.803 2 ↓
Mid Mid (pH 6-8) 4.17 7.18 -48.68 3 2 1 41 289.811 2 ↓

Analogs

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Popular Name: (1S)-1-(5-chloro-1,3-benzothiazol-2-yl)-1-phenyl-ethanamine (1S)-1-(5-chloro-1,3-benzothiazo…

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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) 4.17 6.92 -6.24 2 2 0 39 288.803 2 ↓
Mid Mid (pH 6-8) 4.17 7.19 -48.62 3 2 1 41 289.811 2 ↓

Analogs

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Popular Name: (1R)-1-(5-methyl-1,3-benzothiazol-2-yl)-1-phenyl-ethanamine (1R)-1-(5-methyl-1,3-benzothiazo…

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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) 3.94 6.51 -6.02 2 2 0 39 268.385 2 ↓
Mid Mid (pH 6-8) 3.94 6.74 -39.87 3 2 1 41 269.393 2 ↓

Analogs

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Popular Name: (1S)-1-(5-methyl-1,3-benzothiazol-2-yl)-1-phenyl-ethanamine (1S)-1-(5-methyl-1,3-benzothiazo…

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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) 3.94 6.49 -7.7 2 2 0 39 268.385 2 ↓
Mid Mid (pH 6-8) 3.94 6.74 -39.89 3 2 1 41 269.393 2 ↓

Analogs

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Popular Name: (1R)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-phenyl-ethanamine (1R)-1-(5-fluoro-1,3-benzothiazo…

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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) 3.65 6.49 -6.74 2 2 0 39 272.348 2 ↓
Mid Mid (pH 6-8) 3.65 6.75 -49.56 3 2 1 41 273.356 2 ↓

Analogs

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Popular Name: (1S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-phenyl-ethanamine (1S)-1-(5-fluoro-1,3-benzothiazo…

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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) 3.65 6.55 -6.11 2 2 0 39 272.348 2 ↓
Mid Mid (pH 6-8) 3.65 6.76 -49.56 3 2 1 41 273.356 2 ↓

Analogs

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Popular Name: (1R)-1-(5-bromo-1,3-benzothiazol-2-yl)-1-phenyl-ethanamine (1R)-1-(5-bromo-1,3-benzothiazol…

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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) 4.30 7.07 -5.44 2 2 0 39 333.254 2 ↓
Mid Mid (pH 6-8) 4.30 7.28 -48.61 3 2 1 41 334.262 2 ↓

Analogs

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Popular Name: (1S)-1-(5-bromo-1,3-benzothiazol-2-yl)-1-phenyl-ethanamine (1S)-1-(5-bromo-1,3-benzothiazol…

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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) 4.30 7.03 -6.19 2 2 0 39 333.254 2 ↓
Mid Mid (pH 6-8) 4.30 7.29 -48.63 3 2 1 41 334.262 2 ↓

Analogs

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Popular Name: (1R)-1-(7-chloro-1,3-benzothiazol-2-yl)-1-phenyl-ethanamine (1R)-1-(7-chloro-1,3-benzothiazo…

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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) 4.14 6.97 -5.9 2 2 0 39 288.803 2 ↓
Mid Mid (pH 6-8) 4.14 7.19 -45.85 3 2 1 41 289.811 2 ↓

Analogs

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Popular Name: (1S)-1-(7-chloro-1,3-benzothiazol-2-yl)-1-phenyl-ethanamine (1S)-1-(7-chloro-1,3-benzothiazo…

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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) 4.14 6.93 -6.85 2 2 0 39 288.803 2 ↓
Mid Mid (pH 6-8) 4.14 7.2 -45.9 3 2 1 41 289.811 2 ↓

Analogs

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Popular Name: (1R)-1-(1,3-benzothiazol-2-yl)-1-(3,4-dichlorophenyl)ethanol (1R)-1-(1,3-benzothiazol-2-yl)-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) 4.13 7.14 -5.6 1 2 0 33 324.232 2 ↓

Analogs

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Popular Name: (1S)-1-(1,3-benzothiazol-2-yl)-1-(3,4-dichlorophenyl)ethanol (1S)-1-(1,3-benzothiazol-2-yl)-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) 4.13 7.16 -5.61 1 2 0 33 324.232 2 ↓

Analogs

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Popular Name: (1R)-1-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)ethanol (1R)-1-(1,3-benzothiazol-2-yl)-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) 3.52 6.7 -6.22 1 2 0 33 289.787 2 ↓

Analogs

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Popular Name: (1S)-1-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)ethanol (1S)-1-(1,3-benzothiazol-2-yl)-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) 3.52 6.72 -6.21 1 2 0 33 289.787 2 ↓

Analogs

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Popular Name: (S)-1,3-benzothiazol-2-yl-(2,4-dimethylphenyl)methanol (S)-1,3-benzothiazol-2-yl-(2,4-d…

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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) 3.85 6.38 -7.81 1 2 0 33 269.369 2 ↓

Analogs

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Popular Name: (R)-1,3-benzothiazol-2-yl-(2,4-dimethylphenyl)methanol (R)-1,3-benzothiazol-2-yl-(2,4-d…

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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) 3.85 6.51 -7.8 1 2 0 33 269.369 2 ↓

Analogs

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Popular Name: (1S)-1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol (1S)-1-(1,3-benzothiazol-2-yl)-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) 3.67 6.88 -7.61 1 2 0 33 283.396 2 ↓

Analogs

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Popular Name: (1R)-1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol (1R)-1-(1,3-benzothiazol-2-yl)-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) 3.67 7.21 -7.25 1 2 0 33 283.396 2 ↓

Analogs

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Popular Name: (1S)-1-(1,3-benzothiazol-2-yl)-1-(4-chloro-2-methyl-phenyl)ethanol (1S)-1-(1,3-benzothiazol-2-yl)-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) 3.90 6.71 -7.06 1 2 0 33 303.814 2 ↓

Analogs

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Popular Name: (1R)-1-(1,3-benzothiazol-2-yl)-1-(4-chloro-2-methyl-phenyl)ethanol (1R)-1-(1,3-benzothiazol-2-yl)-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) 3.90 7.01 -6.46 1 2 0 33 303.814 2 ↓

Analogs

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Popular Name: (1R)-1-(1,3-benzothiazol-2-yl)-1-(2,4-dichlorophenyl)ethanol (1R)-1-(1,3-benzothiazol-2-yl)-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) 4.13 7.43 -6.82 1 2 0 33 324.232 2 ↓

Analogs

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Popular Name: (1S)-1-(1,3-benzothiazol-2-yl)-1-(2,4-dichlorophenyl)ethanol (1S)-1-(1,3-benzothiazol-2-yl)-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) 4.13 7.42 -6.78 1 2 0 33 324.232 2 ↓

Analogs

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Popular Name: (1S)-1-(1,3-benzothiazol-2-yl)-1-(4-fluoro-3-methyl-phenyl)ethanol (1S)-1-(1,3-benzothiazol-2-yl)-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) 3.39 6.89 -6.76 1 2 0 33 287.359 2 ↓

Analogs

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Popular Name: (1R)-1-(1,3-benzothiazol-2-yl)-1-(4-fluoro-3-methyl-phenyl)ethanol (1R)-1-(1,3-benzothiazol-2-yl)-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) 3.39 6.88 -6.79 1 2 0 33 287.359 2 ↓

Analogs

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Popular Name: 2-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1,3-benzothiazole 2-[(1R)-1-(2,4-dimethylphenyl)et…

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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) 4.87 10.4 -7.25 0 1 0 13 267.397 2 ↓

Analogs

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Popular Name: 2-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1,3-benzothiazole 2-[(1S)-1-(2,4-dimethylphenyl)et…

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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) 4.87 10.23 -7.17 0 1 0 13 267.397 2 ↓

Analogs

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Popular Name: (1R)-1-(1,3-benzothiazol-2-yl)-1-(2-methoxyphenyl)ethanol (1R)-1-(1,3-benzothiazol-2-yl)-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) 2.86 6.17 -8.03 1 3 0 42 285.368 3 ↓

Analogs

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Popular Name: (1S)-1-(1,3-benzothiazol-2-yl)-1-(2-methoxyphenyl)ethanol (1S)-1-(1,3-benzothiazol-2-yl)-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) 2.86 6.16 -8.03 1 3 0 42 285.368 3 ↓

Analogs

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Popular Name: (1S)-1-(1,3-benzothiazol-2-yl)-1-(o-tolyl)ethanol (1S)-1-(1,3-benzothiazol-2-yl)-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) 3.25 6.2 -7.58 1 2 0 33 269.369 2 ↓

Analogs

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Popular Name: (1R)-1-(1,3-benzothiazol-2-yl)-1-(o-tolyl)ethanol (1R)-1-(1,3-benzothiazol-2-yl)-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) 3.25 6.5 -7.23 1 2 0 33 269.369 2 ↓

Analogs

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Popular Name: 5-chloro-2-[(S)-chloro(phenyl)methyl]-1,3-benzothiazole 5-chloro-2-[(S)-chloro(phenyl)me…

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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) 4.91 9.38 -7.07 0 1 0 13 294.206 2 ↓

Analogs

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Popular Name: 5-chloro-2-[(R)-chloro(phenyl)methyl]-1,3-benzothiazole 5-chloro-2-[(R)-chloro(phenyl)me…

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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) 4.91 9.39 -7.06 0 1 0 13 294.206 2 ↓

Analogs

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Popular Name: 2-[(R)-chloro(phenyl)methyl]-5-methyl-1,3-benzothiazole 2-[(R)-chloro(phenyl)methyl]-5-m…

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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) 4.68 9.43 -7.01 0 1 0 13 273.788 2 ↓

Analogs

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Popular Name: 2-[(S)-chloro(phenyl)methyl]-5-methyl-1,3-benzothiazole 2-[(S)-chloro(phenyl)methyl]-5-m…

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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) 4.68 9.43 -6.99 0 1 0 13 273.788 2 ↓

Analogs

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Popular Name: 2-[(S)-chloro(phenyl)methyl]-5-fluoro-1,3-benzothiazole 2-[(S)-chloro(phenyl)methyl]-5-f…

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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) 4.40 8.96 -7.68 0 1 0 13 277.751 2 ↓

Analogs

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Popular Name: 2-[(R)-chloro(phenyl)methyl]-5-fluoro-1,3-benzothiazole 2-[(R)-chloro(phenyl)methyl]-5-f…

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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) 4.40 8.96 -7.67 0 1 0 13 277.751 2 ↓

Analogs

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Popular Name: 5-bromo-2-[(S)-chloro(phenyl)methyl]-1,3-benzothiazole 5-bromo-2-[(S)-chloro(phenyl)met…

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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) 5.05 9.49 -6.91 0 1 0 13 338.657 2 ↓

Analogs

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Popular Name: 5-bromo-2-[(R)-chloro(phenyl)methyl]-1,3-benzothiazole 5-bromo-2-[(R)-chloro(phenyl)met…

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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) 5.05 9.5 -6.95 0 1 0 13 338.657 2 ↓

Analogs

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Popular Name: 4-[(5-methyl-1,3-benzothiazol-2-yl)methyl]aniline 4-[(5-methyl-1,3-benzothiazol-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) 3.56 6.98 -8.12 2 2 0 39 254.358 2 ↓

Analogs

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Popular Name: (R)-(5-methyl-1,3-benzothiazol-2-yl)-phenyl-methanamine (R)-(5-methyl-1,3-benzothiazol-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) 3.49 6.42 -45.16 3 2 1 41 255.366 2 ↓
Mid Mid (pH 6-8) 3.49 6.08 -7.39 2 2 0 39 254.358 2 ↓

Analogs

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Popular Name: (S)-(5-methyl-1,3-benzothiazol-2-yl)-phenyl-methanamine (S)-(5-methyl-1,3-benzothiazol-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) 3.49 6.42 -45.14 3 2 1 41 255.366 2 ↓
Mid Mid (pH 6-8) 3.49 6.08 -7.88 2 2 0 39 254.358 2 ↓

Analogs

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Popular Name: 7-chloro-2-[(S)-chloro(phenyl)methyl]-1,3-benzothiazole 7-chloro-2-[(S)-chloro(phenyl)me…

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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) 4.89 9.39 -7.11 0 1 0 13 294.206 2 ↓

Analogs

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Popular Name: 7-chloro-2-[(R)-chloro(phenyl)methyl]-1,3-benzothiazole 7-chloro-2-[(R)-chloro(phenyl)me…

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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) 4.89 9.4 -7.09 0 1 0 13 294.206 2 ↓

Analogs

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Popular Name: 4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]aniline 4-[(5-fluoro-1,3-benzothiazol-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) 3.28 6.39 -7.65 2 2 0 39 258.321 2 ↓

Analogs

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Popular Name: (S)-(5-fluoro-1,3-benzothiazol-2-yl)-phenyl-methanamine (S)-(5-fluoro-1,3-benzothiazol-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) 3.21 5.81 -45.04 3 2 1 41 259.329 2 ↓
Mid Mid (pH 6-8) 3.21 5.47 -6.52 2 2 0 39 258.321 2 ↓

Analogs

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Popular Name: (R)-(5-fluoro-1,3-benzothiazol-2-yl)-phenyl-methanamine (R)-(5-fluoro-1,3-benzothiazol-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) 3.21 5.81 -45.07 3 2 1 41 259.329 2 ↓
Mid Mid (pH 6-8) 3.21 5.47 -6.18 2 2 0 39 258.321 2 ↓

Analogs

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Popular Name: 4-[(5-bromo-1,3-benzothiazol-2-yl)methyl]aniline 4-[(5-bromo-1,3-benzothiazol-2-y…

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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) 3.93 6.92 -6.98 2 2 0 39 319.227 2 ↓

Analogs

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Popular Name: (S)-(5-bromo-1,3-benzothiazol-2-yl)-phenyl-methanamine (S)-(5-bromo-1,3-benzothiazol-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) 3.85 6.34 -44.33 3 2 1 41 320.235 2 ↓
Mid Mid (pH 6-8) 3.85 6.01 -5.97 2 2 0 39 319.227 2 ↓

Parameters Provided:

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

SQL Query Was

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