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Analogs

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Popular Name: N-[4-(3-amino-3-oxo-propoxy)phenyl]-1H-triazole-4-carboxamide N-[4-(3-amino-3-oxo-propoxy)phen…

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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) -0.03 -1.37 -12.75 4 8 0 123 275.268 6 ↓
Mid Mid (pH 6-8) -0.03 -1.49 -41.21 3 8 -1 121 274.26 6 ↓

Analogs

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Popular Name: methyl 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) 0.83 2.44 -14.31 2 8 0 106 276.252 6 ↓
Mid Mid (pH 6-8) 0.83 2.31 -41.99 1 8 -1 105 275.244 6 ↓

Analogs

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Popular Name: N-[4-(dimethylamino)-2-methyl-phenyl]-1H-triazole-4-carboxamide N-[4-(dimethylamino)-2-methyl-ph…

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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) 1.39 2.83 -8.21 2 6 0 74 245.286 3 ↓
Mid Mid (pH 6-8) 1.39 2.68 -37.81 1 6 -1 72 244.278 3 ↓

Analogs

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Popular Name: N-[2-methyl-5-(propanoylamino)phenyl]-1H-triazole-4-carboxamide N-[2-methyl-5-(propanoylamino)ph…

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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) 1.35 2.15 -12.1 3 7 0 100 273.296 4 ↓
Mid Mid (pH 6-8) 1.35 2.03 -39.21 2 7 -1 98 272.288 4 ↓

Analogs

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Popular Name: N-[2-(methoxymethyl)phenyl]-1H-triazole-4-carboxamide N-[2-(methoxymethyl)phenyl]-1H-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) 0.82 1.58 -7.5 2 6 0 80 232.243 4 ↓
Mid Mid (pH 6-8) 0.82 1.46 -35.45 1 6 -1 78 231.235 4 ↓

Analogs

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Popular Name: N-[2-(2-amino-2-oxo-ethyl)phenyl]-1H-triazole-4-carboxamide N-[2-(2-amino-2-oxo-ethyl)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) -0.22 -0.8 -13.38 4 7 0 114 245.242 4 ↓
Mid Mid (pH 6-8) -0.22 -0.91 -42.55 3 7 -1 112 244.234 4 ↓

Analogs

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Popular Name: N-[2-methyl-5-(methylsulfamoyl)phenyl]-1H-triazole-4-carboxamide N-[2-methyl-5-(methylsulfamoyl)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) 0.36 -1.39 -15.64 3 8 0 117 295.324 4 ↓
Mid Mid (pH 6-8) 0.36 -1.51 -43.87 2 8 -1 115 294.316 4 ↓

Analogs

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Popular Name: N-[5-(ethylcarbamoyl)-2-methyl-phenyl]-1H-triazole-4-carboxamide N-[5-(ethylcarbamoyl)-2-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) 0.86 1.5 -16.79 3 7 0 100 273.296 4 ↓
Mid Mid (pH 6-8) 0.86 1.39 -48.65 2 7 -1 98 272.288 4 ↓

Analogs

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Popular Name: N-(5-carbamoyl-2-methoxy-phenyl)-1H-triazole-4-carboxamide N-(5-carbamoyl-2-methoxy-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) -0.28 -2.24 -17.19 4 8 0 123 261.241 4 ↓
Mid Mid (pH 6-8) -0.28 -2.36 -50.52 3 8 -1 121 260.233 4 ↓

Analogs

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Popular Name: N-(5-carbamoyl-3-fluoro-2-methyl-phenyl)-1H-triazole-4-carboxamide N-(5-carbamoyl-3-fluoro-2-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) 0.20 -0.8 -13.52 4 7 0 114 263.232 3 ↓
Mid Mid (pH 6-8) 0.20 -0.91 -42.3 3 7 -1 112 262.224 3 ↓

Analogs

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Popular Name: N-(3-acetamido-4-methyl-phenyl)-1H-triazole-4-carboxamide N-(3-acetamido-4-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) 0.51 1.33 -12.48 3 7 0 100 259.269 3 ↓
Mid Mid (pH 6-8) 0.51 1.21 -45.46 2 7 -1 98 258.261 3 ↓

Analogs

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Popular Name: N-[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]-1H-triazole-4-carboxamide N-[4-[2-(dimethylamino)-2-oxo-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) 0.00 2.45 -15.21 2 7 0 91 273.296 4 ↓
Mid Mid (pH 6-8) 0.00 2.34 -44.64 1 7 -1 89 272.288 4 ↓

Analogs

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Popular Name: N-(3-fluoro-4-methoxy-phenyl)-1H-triazole-4-carboxamide N-(3-fluoro-4-methoxy-phenyl)-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) 1.06 0.9 -11.45 2 6 0 80 236.206 3 ↓
Mid Mid (pH 6-8) 1.06 0.77 -38.55 1 6 -1 78 235.198 3 ↓

Analogs

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Popular Name: N-(4-isopropoxyphenyl)-1H-triazole-4-carboxamide N-(4-isopropoxyphenyl)-1H-triazo…

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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) 1.71 2.44 -7.76 2 6 0 80 246.27 4 ↓
Mid Mid (pH 6-8) 1.71 2.31 -35.85 1 6 -1 78 245.262 4 ↓

Analogs

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Popular Name: N-(4-chloro-3-fluoro-phenyl)-1H-triazole-4-carboxamide N-(4-chloro-3-fluoro-phenyl)-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) 1.69 2.11 -8.89 2 5 0 71 240.625 2 ↓
Mid Mid (pH 6-8) 1.69 2 -34.24 1 5 -1 69 239.617 2 ↓

Analogs

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Popular Name: N-[3-(cyanomethoxy)phenyl]-1H-triazole-4-carboxamide N-[3-(cyanomethoxy)phenyl]-1H-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) 0.73 1.55 -15.23 2 7 0 104 243.226 4 ↓
Mid Mid (pH 6-8) 0.73 1.43 -44.89 1 7 -1 102 242.218 4 ↓

Analogs

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Popular Name: N-[4-(ethylcarbamoyl)phenyl]-1H-triazole-4-carboxamide N-[4-(ethylcarbamoyl)phenyl]-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) 0.48 0.65 -11.38 3 7 0 100 259.269 4 ↓
Mid Mid (pH 6-8) 0.48 0.54 -37.14 2 7 -1 98 258.261 4 ↓

Analogs

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Popular Name: N-[2-(diethylaminomethyl)phenyl]-1H-triazole-4-carboxamide N-[2-(diethylaminomethyl)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) 1.42 5.05 -37.89 3 6 1 75 274.348 6 ↓
Mid Mid (pH 6-8) 1.42 4.93 -46.59 2 6 0 73 273.34 6 ↓

Analogs

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Popular Name: N-[2-(dimethylcarbamoylamino)phenyl]-1H-triazole-4-carboxamide N-[2-(dimethylcarbamoylamino)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) 0.23 1.59 -12.22 3 8 0 103 274.284 3 ↓
Mid Mid (pH 6-8) 0.23 1.49 -37.39 2 8 -1 101 273.276 3 ↓

Analogs

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Popular Name: N-[2-(3-amino-3-oxo-propoxy)phenyl]-1H-triazole-4-carboxamide N-[2-(3-amino-3-oxo-propoxy)phen…

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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) -0.07 -1.23 -12.49 4 8 0 123 275.268 6 ↓
Mid Mid (pH 6-8) -0.07 -1.34 -41.07 3 8 -1 121 274.26 6 ↓

Analogs

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Popular Name: N-(3-ethoxy-4-methoxy-phenyl)-1H-triazole-4-carboxamide N-(3-ethoxy-4-methoxy-phenyl)-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) 0.94 1.67 -9.74 2 7 0 89 262.269 5 ↓
Mid Mid (pH 6-8) 0.94 1.54 -36.59 1 7 -1 87 261.261 5 ↓

Analogs

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Popular Name: N-(2-ethoxy-4-fluoro-phenyl)-1H-triazole-4-carboxamide N-(2-ethoxy-4-fluoro-phenyl)-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) 1.44 1.95 -6.48 2 6 0 80 250.233 4 ↓
Mid Mid (pH 6-8) 1.44 1.83 -35.17 1 6 -1 78 249.225 4 ↓

Analogs

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Popular Name: N-(3-chloro-4-ethoxy-phenyl)-1H-triazole-4-carboxamide N-(3-chloro-4-ethoxy-phenyl)-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) 1.95 2.31 -10.01 2 6 0 80 266.688 4 ↓
Mid Mid (pH 6-8) 1.95 2.18 -37.32 1 6 -1 78 265.68 4 ↓

Analogs

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Popular Name: N-[5-chloro-2-(ethylcarbamoyl)phenyl]-1H-triazole-4-carboxamide N-[5-chloro-2-(ethylcarbamoyl)ph…

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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) 1.09 1.63 -11.29 3 7 0 100 293.714 4 ↓
Mid Mid (pH 6-8) 1.09 1.51 -46.34 2 7 -1 98 292.706 4 ↓

Analogs

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Popular Name: methyl 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) 0.60 -0.23 -10.82 3 8 0 109 261.241 4 ↓
Mid Mid (pH 6-8) 0.60 -0.35 -37.52 2 8 -1 107 260.233 4 ↓

Analogs

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Popular Name: N-[4-(difluoromethoxy)-3-fluoro-phenyl]-1H-triazole-4-carboxamide N-[4-(difluoromethoxy)-3-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) 1.62 1.17 -9.57 2 6 0 80 272.186 4 ↓
Mid Mid (pH 6-8) 1.62 1.06 -36.95 1 6 -1 78 271.178 4 ↓

Analogs

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Popular Name: N-[3-(3-cyanopropoxy)phenyl]-1H-triazole-4-carboxamide N-[3-(3-cyanopropoxy)phenyl]-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) 0.68 3.09 -16.77 2 7 0 104 271.28 6 ↓
Mid Mid (pH 6-8) 0.68 2.97 -46.58 1 7 -1 102 270.272 6 ↓

Analogs

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Popular Name: N-[3-(2-methoxyethoxy)phenyl]-1H-triazole-4-carboxamide N-[3-(2-methoxyethoxy)phenyl]-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) 0.84 1.03 -12.18 2 7 0 89 262.269 6 ↓
Mid Mid (pH 6-8) 0.84 0.9 -42.68 1 7 -1 87 261.261 6 ↓

Analogs

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Popular Name: N-[4-(2-methoxyethoxy)-2-methyl-phenyl]-1H-triazole-4-carboxamide N-[4-(2-methoxyethoxy)-2-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) 1.24 1.92 -9.57 2 7 0 89 276.296 6 ↓
Mid Mid (pH 6-8) 1.24 1.8 -37.83 1 7 -1 87 275.288 6 ↓

Analogs

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Popular Name: N-(4-methyl-2-propoxy-phenyl)-1H-triazole-4-carboxamide N-(4-methyl-2-propoxy-phenyl)-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) 2.23 3.35 -7.29 2 6 0 80 260.297 5 ↓
Mid Mid (pH 6-8) 2.23 3.24 -39.05 1 6 -1 78 259.289 5 ↓

Analogs

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Popular Name: N-[4-chloro-3-(methylcarbamoyl)phenyl]-1H-triazole-4-carboxamide N-[4-chloro-3-(methylcarbamoyl)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) 0.71 0.34 -12.32 3 7 0 100 279.687 3 ↓
Mid Mid (pH 6-8) 0.71 0.22 -35.83 2 7 -1 98 278.679 3 ↓

Analogs

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Popular Name: N-[2-(2-methoxyethoxy)-4-methyl-phenyl]-1H-triazole-4-carboxamide N-[2-(2-methoxyethoxy)-4-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) 1.24 1.82 -9.64 2 7 0 89 276.296 6 ↓
Mid Mid (pH 6-8) 1.24 1.71 -42.33 1 7 -1 87 275.288 6 ↓

Analogs

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Popular Name: N-[4-(ethylcarbamoyl)-2-methyl-phenyl]-1H-triazole-4-carboxamide N-[4-(ethylcarbamoyl)-2-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) 0.86 1.54 -11.26 3 7 0 100 273.296 4 ↓
Mid Mid (pH 6-8) 0.86 1.42 -37.17 2 7 -1 98 272.288 4 ↓

Analogs

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Popular Name: N-(2-isobutoxyphenyl)-1H-triazole-4-carboxamide N-(2-isobutoxyphenyl)-1H-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) 2.05 3.37 -7.17 2 6 0 80 260.297 5 ↓
Mid Mid (pH 6-8) 2.05 3.26 -39.24 1 6 -1 78 259.289 5 ↓

Analogs

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Popular Name: N-(3-ethoxyphenyl)-1H-triazole-4-carboxamide N-(3-ethoxyphenyl)-1H-triazole-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) 1.32 1.76 -10 2 6 0 80 232.243 4 ↓
Mid Mid (pH 6-8) 1.32 1.63 -39.89 1 6 -1 78 231.235 4 ↓

Analogs

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Popular Name: N-(4-isopropoxy-2-methyl-phenyl)-1H-triazole-4-carboxamide N-(4-isopropoxy-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) 2.09 3.26 -7.67 2 6 0 80 260.297 4 ↓
Mid Mid (pH 6-8) 2.09 3.15 -35.96 1 6 -1 78 259.289 4 ↓

Analogs

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Popular Name: N-(3-chloro-4-propoxy-phenyl)-1H-triazole-4-carboxamide N-(3-chloro-4-propoxy-phenyl)-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) 2.46 3.11 -9.66 2 6 0 80 280.715 5 ↓
Mid Mid (pH 6-8) 2.46 2.98 -36.93 1 6 -1 78 279.707 5 ↓

Analogs

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Popular Name: N-(5-chloro-2-ethoxy-phenyl)-1H-triazole-4-carboxamide N-(5-chloro-2-ethoxy-phenyl)-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) 1.95 2.39 -7.69 2 6 0 80 266.688 4 ↓
Mid Mid (pH 6-8) 1.95 2.28 -38.17 1 6 -1 78 265.68 4 ↓

Analogs

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Popular Name: N-[3-fluoro-4-[isopropyl(methyl)amino]phenyl]-1H-triazole-4-carboxamide N-[3-fluoro-4-[isopropyl(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) 1.78 3.86 -9.22 2 6 0 74 277.303 4 ↓
Mid Mid (pH 6-8) 1.78 3.74 -36.96 1 6 -1 72 276.295 4 ↓

Analogs

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Popular Name: N-[3-chloro-4-(dimethylamino)phenyl]-1H-triazole-4-carboxamide N-[3-chloro-4-(dimethylamino)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) 1.62 3.14 -8.44 2 6 0 74 265.704 3 ↓
Mid Mid (pH 6-8) 1.62 3.01 -35.87 1 6 -1 72 264.696 3 ↓

Analogs

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Popular Name: N-(4-ethoxy-2-methyl-phenyl)-1H-triazole-4-carboxamide N-(4-ethoxy-2-methyl-phenyl)-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) 1.72 2.66 -7.85 2 6 0 80 246.27 4 ↓
Mid Mid (pH 6-8) 1.72 2.53 -36.07 1 6 -1 78 245.262 4 ↓

Analogs

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Popular Name: N-(2-methoxy-4-methyl-phenyl)-1H-triazole-4-carboxamide N-(2-methoxy-4-methyl-phenyl)-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) 1.35 1.62 -7.82 2 6 0 80 232.243 3 ↓
Mid Mid (pH 6-8) 1.35 1.5 -39.24 1 6 -1 78 231.235 3 ↓

Analogs

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Popular Name: N-[4-(allylcarbamoyl)phenyl]-1H-triazole-4-carboxamide N-[4-(allylcarbamoyl)phenyl]-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) 0.75 1.2 -11.05 3 7 0 100 271.28 5 ↓
Mid Mid (pH 6-8) 0.75 1.1 -36.84 2 7 -1 98 270.272 5 ↓

Analogs

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Popular Name: N-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-triazole-4-carboxamide N-[4-methoxy-2-(trifluoromethyl)…

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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 2.07 -6.72 2 6 0 80 286.213 4 ↓
Mid Mid (pH 6-8) 1.80 1.96 -35.4 1 6 -1 78 285.205 4 ↓

Analogs

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Popular Name: N-(4-ethoxy-3-fluoro-phenyl)-1H-triazole-4-carboxamide N-(4-ethoxy-3-fluoro-phenyl)-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) 1.44 1.83 -11.39 2 6 0 80 250.233 4 ↓
Mid Mid (pH 6-8) 1.44 1.7 -38.43 1 6 -1 78 249.225 4 ↓

Analogs

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Popular Name: N-[4-(2-amino-2-oxo-ethoxy)-2-methyl-phenyl]-1H-triazole-4-carboxamide N-[4-(2-amino-2-oxo-ethoxy)-2-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) 0.08 -0.16 -15.53 4 8 0 123 275.268 5 ↓
Mid Mid (pH 6-8) 0.08 -0.28 -42.76 3 8 -1 121 274.26 5 ↓

Analogs

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Popular Name: N-(2-methyl-4-propoxy-phenyl)-1H-triazole-4-carboxamide N-(2-methyl-4-propoxy-phenyl)-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) 2.23 3.45 -7.66 2 6 0 80 260.297 5 ↓
Mid Mid (pH 6-8) 2.23 3.34 -35.79 1 6 -1 78 259.289 5 ↓

Analogs

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Popular Name: N-(2-butoxyphenyl)-1H-triazole-4-carboxamide N-(2-butoxyphenyl)-1H-triazole-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) 2.36 3.46 -7.29 2 6 0 80 260.297 6 ↓
Mid Mid (pH 6-8) 2.36 3.35 -39.02 1 6 -1 78 259.289 6 ↓

Analogs

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Popular Name: N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1H-triazole-4-carboxamide N-[3-chloro-4-(2-methoxyethoxy)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) 1.47 1.58 -12.18 2 7 0 89 296.714 6 ↓
Mid Mid (pH 6-8) 1.47 1.45 -39.73 1 7 -1 87 295.706 6 ↓

Analogs

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Popular Name: N-[2-(ethoxymethyl)phenyl]-1H-triazole-4-carboxamide N-[2-(ethoxymethyl)phenyl]-1H-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) 1.20 2.56 -7.42 2 6 0 80 246.27 5 ↓
Mid Mid (pH 6-8) 1.20 2.44 -35.41 1 6 -1 78 245.262 5 ↓

Parameters Provided:

ring.id = 540838
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 = 540838 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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