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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine [4-(5-ethyl-1H-1,2,4-triazol-3-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) 1.35 3.83 -54.06 4 4 1 69 203.269 3 ↓

Analogs

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Popular Name: [5-(o-tolyl)-4H-1,2,4-triazol-3-yl]methanamine [5-(o-tolyl)-4H-1,2,4-triazol-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) 1.20 3.6 -42.72 4 4 1 69 189.242 2 ↓
Hi High (pH 8-9.5) 1.20 2.4 -8.03 3 4 0 68 188.234 2 ↓
Mid Mid (pH 6-8) 1.20 2.63 -41.41 3 4 0 68 188.234 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]methanamine [5-(2-fluorophenyl)-4H-1,2,4-tri…

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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) 0.91 2.67 -42.76 4 4 1 69 193.205 2 ↓
Hi High (pH 8-9.5) 0.91 2.23 -10.18 3 4 0 68 192.197 2 ↓
Mid Mid (pH 6-8) 0.91 2.45 -45.58 3 4 0 68 192.197 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(o-tolyl)-4H-1,2,4-triazol-3-yl]ethanamine 2-[5-(o-tolyl)-4H-1,2,4-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) 1.00 4.27 -45.56 4 4 1 69 203.269 3 ↓

Analogs

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Popular Name: [5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methanamine [5-(2-methoxyphenyl)-4H-1,2,4-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) 0.81 2.14 -42.48 4 5 1 78 205.241 3 ↓
Hi High (pH 8-9.5) 0.81 1.68 -10.31 3 5 0 77 204.233 3 ↓
Mid Mid (pH 6-8) 0.81 1.9 -44.85 3 5 0 77 204.233 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]ethanamine 2-[5-(2-fluorophenyl)-4H-1,2,4-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) 0.71 3.27 -46.21 4 4 1 69 207.232 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]methanamine [5-(2-chlorophenyl)-4H-1,2,4-tri…

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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 2.98 -41.81 3 4 0 68 208.652 2 ↓
Hi High (pH 8-9.5) 1.43 2.59 -43.82 2 4 -1 66 207.644 2 ↓
Mid Mid (pH 6-8) 1.43 3.15 -52.95 4 4 1 69 209.66 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]ethanamine 2-[5-(2-methoxyphenyl)-4H-1,2,4-…

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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) 0.60 2.84 -45.86 4 5 1 78 219.268 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]ethanamine 2-[5-(2-chlorophenyl)-4H-1,2,4-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) 1.23 4.02 -45.24 4 4 1 69 223.687 3 ↓
Hi High (pH 8-9.5) 1.23 3.69 -54.73 3 4 0 68 222.679 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]methanamine [5-(4-tert-butylphenyl)-4H-1,2,4…

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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) 2.50 4.77 -41.94 4 4 1 69 231.323 3 ↓
Hi High (pH 8-9.5) 2.50 4.38 -6.79 3 4 0 68 230.315 3 ↓
Hi High (pH 8-9.5) 2.50 4.63 -41.56 3 4 0 68 230.315 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]ethanamine 2-[5-(4-tert-butylphenyl)-4H-1,2…

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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) 2.30 5.48 -45.03 4 4 1 69 245.35 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]methanamine [5-(2-bromophenyl)-4H-1,2,4-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) 1.56 3.52 -41.75 4 4 1 69 254.111 2 ↓
Mid Mid (pH 6-8) 1.56 3.12 -40.92 3 4 0 68 253.103 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-methyl-2H-1,2,4-triazol-3-yl)benzoic 2-(5-methyl-2H-1,2,4-triazol-3-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) 1.12 5.34 -61.61 1 5 -1 82 202.193 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(3,4,5-Trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methylamine [3-(3,4,5-Trimethoxyphenyl)-1H-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) 0.43 1.59 -49.55 4 7 1 97 265.293 5 ↓
Hi High (pH 8-9.5) 0.43 1.23 -10.6 3 7 0 95 264.285 5 ↓
Mid Mid (pH 6-8) 0.43 1.49 -43.95 3 7 0 95 264.285 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]ethanamine 2-[5-(2-bromophenyl)-4H-1,2,4-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) 1.36 4.21 -45.09 4 4 1 69 268.138 3 ↓
Hi High (pH 8-9.5) 1.36 3.83 -53.78 3 4 0 68 267.13 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)aniline 4-bromo-2-(5-ethyl-2-methyl-1,2,…

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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) 2.46 5.54 -6.77 2 4 0 57 281.157 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-nitro-aniline 4-(5-ethyl-2-methyl-1,2,4-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) 1.60 5.47 -9.99 2 7 0 103 247.258 3 ↓
Lo Low (pH 4.5-6) 1.60 5.95 -35 3 7 1 104 248.266 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)anilino]ethanol 2-[4-(5-ethyl-2-methyl-1,2,4-tri…

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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) 1.46 3 -11.12 2 5 0 63 246.314 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-fluoro-aniline 5-(5-ethyl-2-methyl-1,2,4-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) 1.81 4.67 -8.52 2 4 0 57 220.251 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4-fluoro-aniline 3-(5-ethyl-2-methyl-1,2,4-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) 1.40 4.68 -11.68 2 4 0 57 220.251 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)phenol 2-amino-5-(5-ethyl-2-methyl-1,2,…

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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) 1.43 1.85 -9.82 3 5 0 77 218.26 2 ↓
Lo Low (pH 4.5-6) 1.43 2.31 -27.49 4 5 1 78 219.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2,4-difluoro-aniline 5-(5-ethyl-2-methyl-1,2,4-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) 1.90 4.77 -10.05 2 4 0 57 238.241 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)aniline 4-chloro-3-(5-ethyl-2-methyl-1,2…

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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) 1.92 5.17 -9.91 2 4 0 57 236.706 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)phenyl]methanamine [3-(5-ethyl-2-methyl-1,2,4-triaz…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.40 4.75 -58.11 3 4 1 58 217.296 3 ↓
Hi High (pH 8-9.5) 1.40 4.35 -8.62 2 4 0 57 216.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)aniline 5-bromo-2-(5-ethyl-2-methyl-1,2,…

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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) 2.46 5.54 -6.56 2 4 0 57 281.157 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-5-(trifluoromethyl)aniline 3-(5-ethyl-2-methyl-1,2,4-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) 2.13 5.57 -10.23 2 4 0 57 270.258 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-3-fluoro-aniline 2-(5-ethyl-2-methyl-1,2,4-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) 1.79 4.78 -8.65 2 4 0 57 220.251 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)phenyl]methanamine [4-(5-ethyl-2-methyl-1,2,4-triaz…

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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 4.75 -56.32 3 4 1 58 217.296 3 ↓
Hi High (pH 8-9.5) 1.42 4.35 -8.62 2 4 0 57 216.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)aniline 2-chloro-5-(5-ethyl-2-methyl-1,2…

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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) 2.32 5.18 -8.18 2 4 0 57 236.706 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4-fluoro-aniline 2-(5-ethyl-2-methyl-1,2,4-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) 1.81 4.98 -7.36 2 4 0 57 220.251 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-aniline 2-(5-ethyl-2-methyl-1,2,4-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) 2.10 5.58 -7.43 2 4 0 57 216.288 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-6-methyl-aniline 2-(5-ethyl-2-methyl-1,2,4-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) 2.07 5.72 -7.54 2 4 0 57 216.288 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)aniline 4-chloro-2-(5-ethyl-2-methyl-1,2…

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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) 2.32 5.43 -6.84 2 4 0 57 236.706 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)aniline 5-chloro-2-(5-ethyl-2-methyl-1,2…

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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) 2.32 5.43 -6.63 2 4 0 57 236.706 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)aniline 4-(5-ethyl-2-methyl-1,2,4-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) 1.31 4.58 -9.74 2 4 0 57 202.261 2 ↓
Lo Low (pH 4.5-6) 1.31 5.05 -25.7 3 4 1 58 203.269 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4-nitro-aniline 2-(5-ethyl-2-methyl-1,2,4-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) 1.60 5.62 -10.3 2 7 0 103 247.258 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-methyl-aniline 4-(5-ethyl-2-methyl-1,2,4-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) 2.10 5.36 -9.65 2 4 0 57 216.288 2 ↓
Lo Low (pH 4.5-6) 2.10 5.81 -25.52 3 4 1 58 217.296 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)aniline 3-(5-ethyl-2-methyl-1,2,4-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) 1.29 4.58 -9.29 2 4 0 57 202.261 2 ↓

Analogs

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Popular Name: 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-5-fluoro-aniline 2-(5-ethyl-2-methyl-1,2,4-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) 1.81 4.98 -6.96 2 4 0 57 220.251 2 ↓

Analogs

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Popular Name: 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4,5-dimethoxy-aniline 2-(5-ethyl-2-methyl-1,2,4-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) 1.29 4.12 -9.81 2 6 0 75 262.313 4 ↓

Analogs

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Popular Name: 5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-methyl-aniline 5-(5-ethyl-2-methyl-1,2,4-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) 2.10 5.35 -9.31 2 4 0 57 216.288 2 ↓

Analogs

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Popular Name: 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-N-methyl-aniline 2-(5-ethyl-2-methyl-1,2,4-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) 2.04 5.82 -7.8 1 4 0 43 216.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)aniline 2-(5-ethyl-2-methyl-1,2,4-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) 1.67 4.91 -7.57 2 4 0 57 202.261 2 ↓

Analogs

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Popular Name: 5-amino-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)phenol 5-amino-2-(5-ethyl-2-methyl-1,2,…

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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) 1.02 1.85 -10.48 3 5 0 77 218.26 2 ↓
Lo Low (pH 4.5-6) 1.02 2.39 -27.29 4 5 1 78 219.268 2 ↓

Analogs

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Popular Name: 2,4-dichloro-6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)aniline 2,4-dichloro-6-(5-ethyl-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) 2.93 6.01 -5.51 2 4 0 57 271.151 2 ↓

Analogs

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Popular Name: 2-chloro-4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-5-methoxy-aniline 2-chloro-4-(5-ethyl-2-methyl-1,2…

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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) 2.31 4.6 -10.36 2 5 0 66 266.732 3 ↓
Lo Low (pH 4.5-6) 2.31 5.08 -24.44 3 5 1 67 267.74 3 ↓

Analogs

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Popular Name: 4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-3-methyl-aniline 4-(5-ethyl-2-methyl-1,2,4-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) 1.69 5.22 -8.7 2 4 0 57 216.288 2 ↓
Lo Low (pH 4.5-6) 1.69 5.66 -24.82 3 4 1 58 217.296 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)aniline 3-chloro-4-(5-ethyl-2-methyl-1,2…

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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) 1.92 5.17 -10.27 2 4 0 57 236.706 2 ↓
Lo Low (pH 4.5-6) 1.92 5.6 -24.34 3 4 1 58 237.714 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)benzoic 2-(5-ethyl-2-methyl-1,2,4-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) 1.76 7.31 -59.54 0 5 -1 71 230.247 3 ↓

Analogs

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Popular Name: 4-bromo-2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)aniline 4-bromo-2-(2-methyl-5-propyl-1,2…

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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) 2.96 6.31 -6.56 2 4 0 57 295.184 3 ↓

Parameters Provided:

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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 = 21518 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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