UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4315794
4315794
4315918
4315918

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Popular Name: dimethyl dimethyl

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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) 1.91 6.52 -10.68 0 7 0 83 275.264 5 ↓

Analogs

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Popular Name: dimethyl dimethyl

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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 4.9 -11.41 0 7 0 83 279.227 5 ↓

Analogs

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Popular Name: dimethyl dimethyl

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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) 2.35 4.6 -11.46 0 7 0 83 289.291 6 ↓

Analogs

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Popular Name: dimethyl dimethyl

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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 4.77 -10.78 0 7 0 83 289.291 5 ↓

Analogs

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Popular Name: diethyl 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) 2.47 4.42 -10.22 0 7 0 83 303.318 7 ↓

Analogs

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Popular Name: diethyl 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) 3.06 4.71 -10.27 0 7 0 83 317.345 7 ↓

Analogs

36639126
36639126
36639127
36639127
36639128
36639128
36639129
36639129
36639130
36639130

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Popular Name: diethyl 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) 3.11 4.04 -12.17 0 8 0 92 353.762 8 ↓

Analogs

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Popular Name: diethyl 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) 2.83 3.34 -8.66 0 7 0 83 368.187 7 ↓

Analogs

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Popular Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid 1-[2-chloro-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) 3.08 6.87 -50.72 0 5 -1 71 304.635 3 ↓

Analogs

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Popular Name: N-methoxy-N,5-dimethyl-1-(p-tolyl)triazole-4-carboxamide N-methoxy-N,5-dimethyl-1-(p-toly…

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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) 1.43 5.77 -9.25 0 6 0 60 260.297 3 ↓

Analogs

11690161
11690161

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Popular Name: 5-methyl-N-[(1R)-1-methylbutyl]-1-phenyl-triazole-4-carboxamide 5-methyl-N-[(1R)-1-methylbutyl]-…

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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 6.33 -8.11 1 5 0 60 272.352 5 ↓

Analogs

11690161
11690161

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Popular Name: 5-methyl-N-[(1S)-1-methylbutyl]-1-phenyl-triazole-4-carboxamide 5-methyl-N-[(1S)-1-methylbutyl]-…

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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 6.33 -8.14 1 5 0 60 272.352 5 ↓

Analogs

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Popular Name: 1-(3-bromophenyl)-N,N-diethyl-5-methyl-triazole-4-carboxamide 1-(3-bromophenyl)-N,N-diethyl-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) 2.78 7.88 -8.71 0 5 0 51 337.221 4 ↓

Analogs

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Popular Name: 3-(2-methoxyethylsulfamoyl)-5-(triazol-1-yl)benzoic 3-(2-methoxyethylsulfamoyl)-5-(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) 0.44 1.06 -46.77 1 9 -1 126 325.326 7 ↓

Analogs

52221428
52221428

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Popular Name: 2-{1-[3-(Trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}-2-propanol 2-{1-[3-(Trifluoromethyl)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) 2.60 2.24 -10.36 1 4 0 51 271.242 3 ↓

Analogs

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Popular Name: 2-[1-(3-Fluorophenyl)-1H-1,2,3-triazol-4-yl]-2-propanol 2-[1-(3-Fluorophenyl)-1H-1,2,3-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) 1.87 3.1 -12.09 1 4 0 51 221.235 2 ↓

Analogs

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Popular Name: 4-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]benzonitrile 4-[4-(2,2,2-trifluoroacetyl)tria…

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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) 1.57 5.73 -11.09 0 5 0 72 266.182 3 ↓

Analogs

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Popular Name: 1-[1-(4-chloro-2-methyl-phenyl)triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-(4-chloro-2-methyl-phenyl)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) 3.08 6.64 -6.48 0 4 0 48 289.644 3 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-(3-methoxyphenyl)triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-(3-methoxyp…

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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 4.63 -10.05 0 5 0 57 271.198 4 ↓

Analogs

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Popular Name: 1-[1-(4-ethoxyphenyl)triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-(4-ethoxyphenyl)triazol-4-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) 2.25 5.44 -7.85 0 5 0 57 285.225 5 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-[2-(trifluo…

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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 6.34 -12.96 0 4 0 48 309.169 4 ↓

Analogs

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Popular Name: 1-[1-(2-chlorophenyl)triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-(2-chlorophenyl)triazol-4-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) 2.66 5.9 -10.09 0 4 0 48 275.617 3 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-(p-tolyl)triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-(p-tolyl)tr…

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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) 2.26 5.89 -7.4 0 4 0 48 255.199 3 ↓

Analogs

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Popular Name: 1-[1-(3-chloro-4-methyl-phenyl)triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-(3-chloro-4-methyl-phenyl)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) 3.08 6.32 -6.24 0 4 0 48 289.644 3 ↓

Analogs

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Popular Name: 1-[1-(2,4-difluorophenyl)triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-(2,4-difluorophenyl)triazol…

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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) 2.28 5.38 -5.13 0 4 0 48 277.152 3 ↓

Analogs

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Popular Name: 1-[1-(5-chloro-2-methyl-phenyl)triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-(5-chloro-2-methyl-phenyl)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) 3.29 6.64 -6.25 0 4 0 48 289.644 3 ↓

Analogs

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Popular Name: 1-[1-(2-ethylphenyl)triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-(2-ethylphenyl)triazol-4-yl…

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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) 2.89 6.71 -7.31 0 4 0 48 269.226 4 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-(3-isopropylphenyl)triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-(3-isopropy…

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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 7.14 -7.49 0 4 0 48 283.253 4 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-(4-propylphenyl)triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-(4-propylph…

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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 7.56 -7.04 0 4 0 48 283.253 5 ↓

Analogs

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Popular Name: 1-[1-(3,5-difluorophenyl)triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-(3,5-difluorophenyl)triazol…

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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) 2.49 5.46 -6.82 0 4 0 48 277.152 3 ↓

Analogs

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Popular Name: 1-[1-(2,3-dimethylphenyl)triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-(2,3-dimethylphenyl)triazol…

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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) 2.83 6.71 -6.94 0 4 0 48 269.226 3 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-[4-(trifluo…

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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) 2.71 6.22 -8.21 0 4 0 48 309.169 4 ↓

Analogs

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Popular Name: 1-[1-(3-chlorophenyl)triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-(3-chlorophenyl)triazol-4-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) 2.68 5.86 -6.4 0 4 0 48 275.617 3 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-(3-fluorophenyl)triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-(3-fluoroph…

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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) 2.17 5.4 -6.69 0 4 0 48 259.162 3 ↓

Analogs

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Popular Name: 1-[1-(4-tert-butylphenyl)triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-(4-tert-butylphenyl)triazol…

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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 7.54 -6.83 0 4 0 48 297.28 4 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-(2-fluorophenyl)triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-(2-fluoroph…

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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) 2.14 5.32 -11.62 0 4 0 48 259.162 3 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-(2-isopropylphenyl)triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-(2-isopropy…

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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) 3.02 7.47 -7.05 0 4 0 48 283.253 4 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-(2,3,4-trifluorophenyl)triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-(2,3,4-trif…

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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) 2.37 5.32 -6.24 0 4 0 48 295.142 3 ↓

Analogs

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Popular Name: 1-[1-(4-ethylphenyl)triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-(4-ethylphenyl)triazol-4-yl…

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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 6.78 -7.13 0 4 0 48 269.226 4 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-(3-fluoro-4-methyl-phenyl)triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-(3-fluoro-4…

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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) 2.57 5.93 -6.58 0 4 0 48 273.189 3 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-(4-fluorophenyl)triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-(4-fluoroph…

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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) 1.98 5.28 -7.81 0 4 0 48 259.162 3 ↓

Analogs

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Popular Name: 1-[1-(3-chloro-2-methyl-phenyl)triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-(3-chloro-2-methyl-phenyl)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) 3.06 6.67 -7.59 0 4 0 48 289.644 3 ↓

Analogs

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Popular Name: 1-[1-(2-chloro-4-methyl-phenyl)triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-(2-chloro-4-methyl-phenyl)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) 3.08 6.58 -8.79 0 4 0 48 289.644 3 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-(4-isopropylphenyl)triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-(4-isopropy…

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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 7.14 -6.99 0 4 0 48 283.253 4 ↓

Analogs

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Popular Name: 1-[1-(2-chloro-4-fluoro-phenyl)triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-(2-chloro-4-fluoro-phenyl)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) 2.80 6.1 -8.64 0 4 0 48 293.607 3 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-(5-fluoro-2-methyl-phenyl)triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-(5-fluoro-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) 2.78 6.2 -6.65 0 4 0 48 273.189 3 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-(m-tolyl)triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-(m-tolyl)tr…

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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 5.89 -7.67 0 4 0 48 255.199 3 ↓

Analogs

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Popular Name: 1-[1-(2,4-dimethylphenyl)triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-(2,4-dimethylphenyl)triazol…

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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 6.8 -6.65 0 4 0 48 269.226 3 ↓

Analogs

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Popular Name: 1-[1-(3,4-dimethylphenyl)triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-(3,4-dimethylphenyl)triazol…

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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 6.45 -7.47 0 4 0 48 269.226 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2,2-trifluoro-1-[1-(4-fluoro-2-methyl-phenyl)triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-(4-fluoro-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) 2.57 6.32 -6.77 0 4 0 48 273.189 3 ↓

Parameters Provided:

ring.id = 4100
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 = 4100 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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