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Analogs

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Popular Name: (1S)-1-[4-(benzotriazol-1-yl)-3-chloro-phenyl]-N-methyl-ethanamine (1S)-1-[4-(benzotriazol-1-yl)-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) 3.57 7.49 -56.14 2 4 1 47 287.774 3 ↓
Hi High (pH 8-9.5) 3.57 6.31 -10.05 1 4 0 43 286.766 3 ↓

Analogs

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Popular Name: (1R)-1-[4-(benzotriazol-1-yl)-3-chloro-phenyl]-N-methyl-ethanamine (1R)-1-[4-(benzotriazol-1-yl)-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) 3.57 7.49 -54.89 2 4 1 47 287.774 3 ↓
Hi High (pH 8-9.5) 3.57 6.32 -11.04 1 4 0 43 286.766 3 ↓

Analogs

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Popular Name: (1S)-1-[4-(benzotriazol-1-yl)-3-chloro-phenyl]-N-ethyl-ethanamine (1S)-1-[4-(benzotriazol-1-yl)-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) 3.94 8.34 -54.67 2 4 1 47 301.801 4 ↓
Hi High (pH 8-9.5) 3.94 7.24 -10.43 1 4 0 43 300.793 4 ↓

Analogs

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Popular Name: (1R)-1-[4-(benzotriazol-1-yl)-3-chloro-phenyl]-N-ethyl-ethanamine (1R)-1-[4-(benzotriazol-1-yl)-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) 3.94 8.33 -53.52 2 4 1 47 301.801 4 ↓
Hi High (pH 8-9.5) 3.94 7.23 -9.67 1 4 0 43 300.793 4 ↓

Analogs

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Popular Name: (1S)-1-[4-(benzotriazol-1-yl)-3-chloro-phenyl]ethanamine (1S)-1-[4-(benzotriazol-1-yl)-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) 1.31 5.72 -62.19 3 4 1 58 273.747 2 ↓
Hi High (pH 8-9.5) 1.31 5.39 -11.14 2 4 0 57 272.739 2 ↓

Analogs

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Popular Name: (1R)-1-[4-(benzotriazol-1-yl)-3-chloro-phenyl]ethanamine (1R)-1-[4-(benzotriazol-1-yl)-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) 1.31 5.71 -60.86 3 4 1 58 273.747 2 ↓
Hi High (pH 8-9.5) 1.31 5.42 -10.16 2 4 0 57 272.739 2 ↓

Analogs

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Popular Name: (1S)-1-[4-(benzotriazol-1-yl)-3-bromo-phenyl]-N-methyl-ethanamine (1S)-1-[4-(benzotriazol-1-yl)-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) 3.70 7.61 -55.87 2 4 1 47 332.225 3 ↓
Hi High (pH 8-9.5) 3.70 6.43 -9.72 1 4 0 43 331.217 3 ↓

Analogs

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Popular Name: (1R)-1-[4-(benzotriazol-1-yl)-3-bromo-phenyl]-N-methyl-ethanamine (1R)-1-[4-(benzotriazol-1-yl)-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) 3.70 7.61 -54.55 2 4 1 47 332.225 3 ↓
Hi High (pH 8-9.5) 3.70 6.43 -10.66 1 4 0 43 331.217 3 ↓

Analogs

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Popular Name: (1S)-1-[4-(benzotriazol-1-yl)-3-bromo-phenyl]-N-ethyl-ethanamine (1S)-1-[4-(benzotriazol-1-yl)-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) 4.07 8.46 -54.32 2 4 1 47 346.252 4 ↓
Hi High (pH 8-9.5) 4.07 7.36 -10.08 1 4 0 43 345.244 4 ↓

Analogs

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Popular Name: (1R)-1-[4-(benzotriazol-1-yl)-3-bromo-phenyl]-N-ethyl-ethanamine (1R)-1-[4-(benzotriazol-1-yl)-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) 4.07 8.44 -53.13 2 4 1 47 346.252 4 ↓
Hi High (pH 8-9.5) 4.07 7.34 -9.31 1 4 0 43 345.244 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-(benzotriazol-1-yl)-3-bromo-phenyl]ethanamine (1S)-1-[4-(benzotriazol-1-yl)-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) 1.44 5.84 -61.93 3 4 1 58 318.198 2 ↓
Hi High (pH 8-9.5) 1.44 5.51 -10.76 2 4 0 57 317.19 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-(benzotriazol-1-yl)-3-bromo-phenyl]ethanamine (1R)-1-[4-(benzotriazol-1-yl)-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) 1.44 5.83 -60.56 3 4 1 58 318.198 2 ↓
Hi High (pH 8-9.5) 1.44 5.53 -9.75 2 4 0 57 317.19 2 ↓

Analogs

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Popular Name: (1S)-1-[2-(benzotriazol-1-yl)-6-fluoro-phenyl]ethanol (1S)-1-[2-(benzotriazol-1-yl)-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) 2.47 4.74 -12.1 1 4 0 51 257.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(benzotriazol-1-yl)-6-fluoro-phenyl]ethanol (1R)-1-[2-(benzotriazol-1-yl)-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) 2.47 4.75 -12.13 1 4 0 51 257.268 2 ↓

Analogs

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Popular Name: (1S)-1-[4-(benzotriazol-1-yl)phenyl]ethanol (1S)-1-[4-(benzotriazol-1-yl)phe…

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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) 2.19 4.46 -12.16 1 4 0 51 239.278 2 ↓

Analogs

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Popular Name: (1R)-1-[4-(benzotriazol-1-yl)phenyl]ethanol (1R)-1-[4-(benzotriazol-1-yl)phe…

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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) 2.19 4.41 -12.31 1 4 0 51 239.278 2 ↓

Analogs

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Popular Name: (1S)-1-[4-(benzotriazol-1-yl)-3-fluoro-phenyl]ethanol (1S)-1-[4-(benzotriazol-1-yl)-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) 2.50 4.66 -13.14 1 4 0 51 257.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-(benzotriazol-1-yl)-3-fluoro-phenyl]ethanol (1R)-1-[4-(benzotriazol-1-yl)-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) 2.50 4.61 -13.59 1 4 0 51 257.268 2 ↓

Analogs

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Popular Name: (1S)-1-[4-(benzotriazol-1-yl)-3-nitro-phenyl]ethanol (1S)-1-[4-(benzotriazol-1-yl)-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) 2.29 5.59 -16.89 1 7 0 97 284.275 3 ↓

Analogs

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Popular Name: (1R)-1-[4-(benzotriazol-1-yl)-3-nitro-phenyl]ethanol (1R)-1-[4-(benzotriazol-1-yl)-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) 2.29 5.55 -17.34 1 7 0 97 284.275 3 ↓

Analogs

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Popular Name: (1S)-1-[2-(benzotriazol-1-yl)-5-fluoro-phenyl]ethanol (1S)-1-[2-(benzotriazol-1-yl)-5-…

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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) 2.50 4.75 -8.92 1 4 0 51 257.268 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(benzotriazol-1-yl)-5-fluoro-phenyl]ethanol (1R)-1-[2-(benzotriazol-1-yl)-5-…

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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) 2.50 4.78 -8.87 1 4 0 51 257.268 2 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-5-nitro-aniline 2-(benzotriazol-1-yl)-5-nitro-an…

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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) 2.21 5.25 -9.57 2 7 0 103 255.237 2 ↓

Analogs

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Popular Name: [2-(benzotriazol-1-yl)-5-chloro-phenyl]methanamine [2-(benzotriazol-1-yl)-5-chloro-…

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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) 2.63 5.06 -40.66 3 4 1 58 259.72 2 ↓
Hi High (pH 8-9.5) 2.63 4.92 -8.65 2 4 0 57 258.712 2 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-5-chloro-benzenecarbothioamide 2-(benzotriazol-1-yl)-5-chloro-b…

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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 6.31 -18.31 2 4 0 57 288.763 2 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-5-chloro-benzonitrile 2-(benzotriazol-1-yl)-5-chloro-b…

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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) 3.20 7.24 -14.78 0 4 0 55 254.68 1 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-5-chloro-benzamidine 2-(benzotriazol-1-yl)-5-chloro-b…

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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) 1.83 4.39 -30.99 4 5 1 82 272.719 2 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-6-chloro-benzamidine 2-(benzotriazol-1-yl)-6-chloro-b…

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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) 1.81 3.93 -28.98 4 5 1 82 272.719 2 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-6-chloro-benzenecarbothioamide 2-(benzotriazol-1-yl)-6-chloro-b…

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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 6.07 -18.39 2 4 0 57 288.763 2 ↓

Analogs

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Popular Name: 1-(2-cyano-3-fluoro-phenyl)benzotriazole-5-carboxylic 1-(2-cyano-3-fluoro-phenyl)benzo…

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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 7.3 -55.67 0 6 -1 95 281.226 2 ↓

Analogs

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Popular Name: 1-(4-dimethylaminophenyl)benzotriazole-5-carboxylic 1-(4-dimethylaminophenyl)benzotr…

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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) 2.62 7.22 -48.21 0 6 -1 74 281.295 3 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-5-(diethylsulfamoyl)benzoic 2-(benzotriazol-1-yl)-5-(diethyl…

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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) 2.41 6.06 -64.86 0 8 -1 108 373.414 6 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-5-(methylsulfamoyl)benzoic 2-(benzotriazol-1-yl)-5-(methyls…

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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) 1.41 2.51 -65.29 1 8 -1 117 331.333 4 ↓

Analogs

6345387
6345387

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Popular Name: 4-(benzotriazol-1-yl)-N,N-diethyl-3-nitro-benzenesulfonamide 4-(benzotriazol-1-yl)-N,N-diethy…

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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 7.07 -20.51 0 9 0 114 375.41 6 ↓

Analogs

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Popular Name: [2-(benzotriazol-1-yl)-4-chloro-phenyl]methanamine [2-(benzotriazol-1-yl)-4-chloro-…

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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) 2.84 5.06 -42.94 3 4 1 58 259.72 2 ↓
Hi High (pH 8-9.5) 2.84 4.92 -9.22 2 4 0 57 258.712 2 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-4-chloro-benzoic 2-(benzotriazol-1-yl)-4-chloro-b…

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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) 3.23 7.79 -57.42 0 5 -1 71 272.671 2 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-4-chloro-benzenecarbothioamide 2-(benzotriazol-1-yl)-4-chloro-b…

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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 6.35 -20.94 2 4 0 57 288.763 2 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-4-chloro-benzamidine 2-(benzotriazol-1-yl)-4-chloro-b…

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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) 2.04 4.4 -32.73 4 5 1 82 272.719 2 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-4-chloro-benzonitrile 2-(benzotriazol-1-yl)-4-chloro-b…

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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) 3.41 7.25 -14.34 0 4 0 55 254.68 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(benzotriazol-1-yl)-3-chloro-phenyl]methanamine [4-(benzotriazol-1-yl)-3-chloro-…

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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) 2.63 4.99 -61.11 3 4 1 58 259.72 2 ↓
Hi High (pH 8-9.5) 2.63 4.58 -11.18 2 4 0 57 258.712 2 ↓

Analogs

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Popular Name: 4-(benzotriazol-1-yl)-3-chloro-benzonitrile 4-(benzotriazol-1-yl)-3-chloro-b…

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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) 3.20 7.34 -12.29 0 4 0 55 254.68 1 ↓

Analogs

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Popular Name: 4-(benzotriazol-1-yl)-3-chloro-benzamidine 4-(benzotriazol-1-yl)-3-chloro-b…

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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) 1.83 4.82 -47.76 4 5 1 82 272.719 2 ↓

Analogs

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Popular Name: 4-(benzotriazol-1-yl)-3-chloro-benzenecarbothioamide 4-(benzotriazol-1-yl)-3-chloro-b…

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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 6.18 -16.76 2 4 0 57 288.763 2 ↓

Analogs

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Popular Name: 4-(benzotriazol-1-yl)-3-chloro-benzoic 4-(benzotriazol-1-yl)-3-chloro-b…

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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) 3.36 7.49 -46.93 0 5 -1 71 272.671 2 ↓

Analogs

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Popular Name: 4-amino-2-(benzotriazol-1-yl)benzoic 4-amino-2-(benzotriazol-1-yl)ben…

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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) 1.63 5.15 -66.44 2 6 -1 97 253.241 2 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-5-fluoro-benzaldehyde 2-(benzotriazol-1-yl)-5-fluoro-b…

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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 6.28 -10.88 0 4 0 48 241.225 2 ↓

Analogs

42801917
42801917

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Popular Name: 2-(benzotriazol-1-yl)-5-fluoro-benzoic 2-(benzotriazol-1-yl)-5-fluoro-b…

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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) 2.51 7.35 -59.78 0 5 -1 71 256.216 2 ↓

Analogs

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Popular Name: (E)-3-[2-(benzotriazol-1-yl)-5-fluoro-phenyl]prop-2-enoic (E)-3-[2-(benzotriazol-1-yl)-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) 2.73 8.39 -62.71 0 5 -1 71 282.254 3 ↓

Analogs

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Popular Name: [2-(benzotriazol-1-yl)-5-fluoro-phenyl]methanol [2-(benzotriazol-1-yl)-5-fluoro-…

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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 4.03 -9.52 1 4 0 51 243.241 2 ↓

Analogs

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Popular Name: 1-[2-(chloromethyl)-4-fluoro-phenyl]benzotriazole 1-[2-(chloromethyl)-4-fluoro-phe…

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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 7.86 -9.43 0 3 0 31 261.687 2 ↓

Parameters Provided:

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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 = 2199 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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