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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: 5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol 5-(4-chlorophenyl)-4-(4-ethoxyph…

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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) 4.67 10.78 -45.63 0 4 -1 40 330.82 4 ↓

Analogs

4211452
4211452
4212861
4212861
3250702
3250702

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Popular Name: 2-[[4-(2-isopropylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-acetamide 2-[[4-(2-isopropylphenyl)-5-(4-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.94 2.87 -14.13 0 6 0 60 410.543 7 ↓

Analogs

4209105
4209105
4211454
4211454

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-(2-isopropylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile 4-[[4-(2-isopropylphenyl)-5-(4-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.75 4.55 -15.46 0 5 0 63 392.528 8 ↓

Analogs

25047207
25047207

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one 4-[[4-(4-chlorophenyl)-5-(2-meth…

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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) 4.27 12.13 -17.36 0 5 0 57 387.892 7 ↓

Analogs

25047214
25047214

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Popular Name: 3-butylsulfanyl-5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole 3-butylsulfanyl-5-(2-methoxyphen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.27 11.8 -12.53 0 5 0 49 369.49 8 ↓

Analogs

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Popular Name: 4-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one 4-[[5-(2-methoxyphenyl)-4-(4-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.65 10.9 -18.72 0 6 0 66 383.473 8 ↓

Analogs

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Popular Name: N-[(1S)-1,5-dimethylhexyl]-2-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]a N-[(1S)-1,5-dimethylhexyl]-2-[[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) 5.70 13.23 -15.78 1 7 0 78 482.65 12 ↓

Analogs

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Popular Name: N-[(1R)-1,5-dimethylhexyl]-2-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]a N-[(1R)-1,5-dimethylhexyl]-2-[[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) 5.70 13.24 -15.79 1 7 0 78 482.65 12 ↓

Analogs

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Popular Name: N-[(1S)-1,4-dimethylpentyl]-2-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl] N-[(1S)-1,4-dimethylpentyl]-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) 5.19 12.45 -15.81 1 7 0 78 468.623 11 ↓

Analogs

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Popular Name: N-[(1R)-1,4-dimethylpentyl]-2-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl] N-[(1R)-1,4-dimethylpentyl]-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) 5.19 12.45 -15.86 1 7 0 78 468.623 11 ↓

Analogs

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Popular Name: N-(3-isopropoxypropyl)-2-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]aceta N-(3-isopropoxypropyl)-2-[[5-(2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.93 10.16 -16.29 1 8 0 88 470.595 12 ↓

Analogs

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Popular Name: 4-[[5-(4-chlorophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one 4-[[5-(4-chlorophenyl)-4-(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) 4.71 13.28 -13.93 0 4 0 48 371.893 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(4-chlorophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-isopropoxypropyl)acetamide 2-[[5-(4-chlorophenyl)-4-(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) 4.99 12.51 -11.61 1 6 0 69 459.015 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one 4-[[5-(3-methoxyphenyl)-4-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) 3.62 11.38 -16.82 0 5 0 57 353.447 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-acetamide 2-[[5-(3-methoxyphenyl)-4-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) 3.07 9.61 -13.84 1 6 0 69 378.457 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentyl-acetamide 2-[[5-(3-methoxyphenyl)-4-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) 4.85 11.42 -13.75 1 6 0 69 410.543 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-isopropoxypropyl)-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(3-isopropoxypropyl)-2-[[5-(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) 3.90 10.64 -14.43 1 7 0 78 440.569 11 ↓

Analogs

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Popular Name: 3-[[4-(4-chlorophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide 3-[[4-(4-chlorophenyl)-5-(4-tert…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.15 -0.14 -15.81 2 5 0 74 414.962 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-oxo-2-(prop-2-ynylamino)ethyl] [2-oxo-2-(prop-2-ynylamino)ethyl]

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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 12.08 -15.36 1 7 0 86 424.457 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanamide (2S)-2-[[2-[(4,5-diphenyl-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 6.77 -16.9 3 7 0 103 381.461 7 ↓

Analogs

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Popular Name: (2R)-2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanamide (2R)-2-[[2-[(4,5-diphenyl-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 6.77 -16.96 3 7 0 103 381.461 7 ↓

Analogs

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Popular Name: 3-(4-phenyl-1,2,4-triazol-3-yl)aniline 3-(4-phenyl-1,2,4-triazol-3-yl)a…

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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 7.99 -12.16 2 4 0 57 236.278 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-phenyl-1,2,4-triazol-4-yl)phenol 4-(3-phenyl-1,2,4-triazol-4-yl)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) 2.37 7.27 -13.75 1 4 0 51 237.262 2 ↓
Hi High (pH 8-9.5) 2.37 8.04 -40.32 0 4 -1 54 236.254 2 ↓

Analogs

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Popular Name: 1-[[4-(3-chloro-4-fluoro-phenyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one 1-[[4-(3-chloro-4-fluoro-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) 5.58 13.01 -10.56 0 4 0 48 430.719 5 ↓

Analogs

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Popular Name: 3-[5-acetonylsulfanyl-4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide 3-[5-acetonylsulfanyl-4-(2,6-dim…

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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) 3.83 11.01 -19.23 0 7 0 85 444.582 7 ↓

Analogs

22145487
22145487
22145490
22145490

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Popular Name: 1-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one 1-[[5-(4-bromophenyl)-4-(4-ethox…

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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) 4.56 12.18 -10.59 0 5 0 57 432.343 7 ↓

Analogs

20894112
20894112

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Popular Name: (2R)-2-[[5-(4-chlorophenyl)-4-(2-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)pr (2R)-2-[[5-(4-chlorophenyl)-4-(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) 4.77 12.54 -19.98 2 7 0 89 457.987 6 ↓

Analogs

20894109
20894109

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Popular Name: (2S)-2-[[5-(4-chlorophenyl)-4-(2-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)pr (2S)-2-[[5-(4-chlorophenyl)-4-(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) 4.77 12.54 -20.07 2 7 0 89 457.987 6 ↓

Analogs

20894127
20894127

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Popular Name: (2S)-2-[[5-(2,4-dichlorophenyl)-4-(2-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide (2S)-2-[[5-(2,4-dichlorophenyl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.35 11.48 -12.92 2 5 0 74 435.38 6 ↓

Analogs

20894124
20894124

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Popular Name: (2R)-2-[[5-(2,4-dichlorophenyl)-4-(2-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide (2R)-2-[[5-(2,4-dichlorophenyl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.35 11.48 -12.84 2 5 0 74 435.38 6 ↓

Analogs

20894826
20894826

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-propanamide (2S)-2-[[5-(4-bromophenyl)-4-(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) 3.75 9.26 -23.9 3 8 0 112 490.383 7 ↓

Analogs

20894823
20894823

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Popular Name: (2R)-2-[[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-propanamide (2R)-2-[[5-(4-bromophenyl)-4-(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) 3.75 9.26 -23.85 3 8 0 112 490.383 7 ↓

Analogs

20894913
20894913

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Popular Name: (2R)-2-[[5-[3-(dimethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide (2R)-2-[[5-[3-(dimethylsulfamoyl…

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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 6.14 -19.73 2 8 0 111 449.533 7 ↓

Analogs

20894910
20894910

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Popular Name: (2S)-2-[[5-[3-(dimethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide (2S)-2-[[5-[3-(dimethylsulfamoyl…

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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 6.17 -20.32 2 8 0 111 449.533 7 ↓

Analogs

3399823
3399823

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Popular Name: 2-[[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acet 2-[[4-(4-ethoxyphenyl)-5-(4-meth…

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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) 4.29 9.78 -12.67 1 7 0 78 466.485 10 ↓

Analogs

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Popular Name: 4-(4-dimethylaminophenyl)-5-phenyl-1,2,4-triazole-3-thiol 4-(4-dimethylaminophenyl)-5-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) 3.67 10.46 -52.77 0 4 -1 34 295.391 3 ↓
Mid Mid (pH 6-8) 2.94 10.34 -11.05 1 4 0 37 296.399 3 ↓

Analogs

25424190
25424190

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Popular Name: (E)-3-amino-2-[2-[[5-(4-chlorophenyl)-4-(2-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]but-2 (E)-3-amino-2-[2-[[5-(4-chloroph…

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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) 4.96 13.54 -16.92 2 6 0 98 451.983 7 ↓

Analogs

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Popular Name: 1-tert-butyl-4-(4-chlorophenyl)-3-phenyl-1,2,4-triazol-1-ium 1-tert-butyl-4-(4-chlorophenyl)-…

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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 13.98 -27.11 0 3 1 22 312.824 3 ↓

Analogs

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Popular Name: 3-[4-(2,6-dimethylphenyl)-5-(3-hydroxypropylsulfanyl)-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfon 3-[4-(2,6-dimethylphenyl)-5-(3-h…

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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) 3.92 8.37 -18.04 1 7 0 88 446.598 8 ↓

Analogs

3301392
3301392
10135982
10135982
15275337
15275337

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Popular Name: N-(tert-butylcarbamoyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(tert-butylcarbamoyl)-2-[[5-(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) 3.77 10.31 -21.04 2 8 0 98 439.541 7 ↓

Analogs

36640644
36640644
3399823
3399823

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Popular Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide 2-[[5-(4-methoxyphenyl)-4-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) 3.86 9.52 -13.05 1 6 0 69 422.432 8 ↓

Analogs

2623930
2623930

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Popular Name: 2-[[5-(2-fluorophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide 2-[[5-(2-fluorophenyl)-4-(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) 4.36 11.14 -15.45 1 5 0 60 424.423 7 ↓

Analogs

36640340
36640340
3399823
3399823

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Popular Name: 2-[[5-(4-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide 2-[[5-(4-methoxyphenyl)-4-(p-tol…

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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) 4.31 10.23 -12.91 1 6 0 69 436.459 8 ↓

Analogs

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Popular Name: N,N-diethyl-4-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide N,N-diethyl-4-[[5-(3-methoxyphen…

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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) 4.44 13.72 -15.74 0 6 0 60 424.57 10 ↓

Analogs

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Popular Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-ethanamine 2-[[5-(4-methoxyphenyl)-4-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) 3.85 12.01 -42.27 1 5 1 44 355.487 7 ↓
Hi High (pH 8-9.5) 3.85 9.52 -10.65 0 5 0 43 354.479 7 ↓

Analogs

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Popular Name: 4-(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-2H-1,2,4-triazole-3-thione 4-(2-chlorophenyl)-5-(3,4-dimeth…

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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) 4.05 9.96 -51.99 0 5 -1 49 346.819 4 ↓

Analogs

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Popular Name: 4-(2-methoxyphenyl)-5-(4-propoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide 4-(2-methoxyphenyl)-5-(4-propoxy…

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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) 4.72 10.52 -55.45 0 5 -1 49 340.428 6 ↓

Analogs

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Popular Name: 4-(4-chloro-2,5-dimethoxy-phenyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate 4-(4-chloro-2,5-dimethoxy-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) 4.59 10.01 -44.09 0 8 -1 95 391.816 5 ↓
Lo Low (pH 4.5-6) 3.87 10.16 -16.77 1 8 0 98 392.824 5 ↓

Analogs

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Popular Name: 4-(2,4-dimethoxyphenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,2,4-triazole-3-thiolate 4-(2,4-dimethoxyphenyl)-5-[3-(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) 5.05 9.48 -53.1 0 6 -1 58 428.387 7 ↓

Analogs

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Popular Name: 4-(3-chloro-4-fluoro-phenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,2,4-triazole-3-thiolate 4-(3-chloro-4-fluoro-phenyl)-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) 5.78 10.98 -41.71 0 4 -1 40 420.77 5 ↓

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