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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-methylprop-2-enyl)-5-(4-nitrophenyl)-2H-1,2,4-triazole-3-thione 4-(2-methylprop-2-enyl)-5-(4-nit…

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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) 3.44 9.32 -41.05 0 6 -1 77 275.313 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(ethylcarbamoyl)acetamide 2-[[5-(4-chlorophenyl)-4-hexyl-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) 4.75 -1.39 -19.03 2 7 0 88 423.97 10 ↓

    Analogs

    4130551
    4130551

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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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) 1.99 5.34 -15.84 2 6 0 83 306.391 7 ↓

    Analogs

    32147752
    32147752

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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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) 2.74 -1.05 -12.93 2 5 0 73 290.392 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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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) 1.89 -1.88 -14.57 2 6 0 83 312.782 5 ↓

    Analogs

    32127445
    32127445
    32127447
    32127447

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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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) 2.90 2.89 -10.49 0 5 0 57 295.339 6 ↓

    Analogs

    7150432
    7150432

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-propanamide 2-[(4-ethyl-5-phenyl-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) 2.14 1.45 -12.3 0 5 0 51 304.419 5 ↓

    Analogs

    7150430
    7150430

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-propanamide 2-[(4-ethyl-5-phenyl-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) 2.14 1.48 -12.38 0 5 0 51 304.419 5 ↓

    Analogs

    7151471
    7151471

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-propanamide 2-[[5-(2-methoxyphenyl)-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) 1.77 1.29 -15.26 0 6 0 60 320.418 5 ↓

    Analogs

    7151470
    7151470

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-propanamide 2-[[5-(2-methoxyphenyl)-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) 1.77 1.28 -15.25 0 6 0 60 320.418 5 ↓

    Analogs

    7151492
    7151492

    Draw Identity 99% 90% 80% 70%

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

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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) 2.42 2.02 -14.46 0 6 0 60 346.456 7 ↓

    Analogs

    7151491
    7151491

    Draw Identity 99% 90% 80% 70%

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

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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) 2.42 1.95 -14.82 0 6 0 60 346.456 7 ↓

    Analogs

    7151497
    7151497
    7773880
    7773880
    7773884
    7773884
    8206115
    8206115

    Draw Identity 99% 90% 80% 70%

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

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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) 2.99 0.23 -14.34 1 6 0 69 346.456 8 ↓

    Analogs

    7773880
    7773880
    7773884
    7773884
    8206115
    8206115
    7151496
    7151496

    Draw Identity 99% 90% 80% 70%

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

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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) 2.99 0.24 -14.33 1 6 0 69 346.456 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 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) 2.79 -1.1 -9.68 2 6 0 83 312.782 6 ↓

    Analogs

    3490921
    3490921

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-acetamide 2-[[5-(4-chlorophenyl)-4-hexyl-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) 4.88 0.77 -10.84 1 5 0 59 390.94 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-ethylsulfanyl-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine 3-ethylsulfanyl-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) 2.26 5.74 -12.57 2 5 0 66 250.327 4 ↓

    Analogs

    6585285
    6585285
    6586839
    6586839

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-isopropylsulfanyl-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine 3-isopropylsulfanyl-5-(2-methoxy…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.63 6.93 -14.02 2 5 0 66 264.354 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-chloroprop-2-enylsulfanyl)-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine 3-(2-chloroprop-2-enylsulfanyl)-…

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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 7.29 -14.42 2 5 0 66 296.783 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]acetamide 2-[3-(m-tolyl)-5-thioxo-1H-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) 1.59 5.75 -56.12 2 7 -1 89 342.404 6 ↓
    Mid Mid (pH 6-8) 0.86 5.65 -17.01 3 7 0 92 343.412 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-oxo-2-(prop-2-ynylamino)ethyl]-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-[2-oxo-2-(prop-2-ynylamino)eth…

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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) 1.61 5.76 -55.78 2 7 -1 89 342.404 6 ↓
    Mid Mid (pH 6-8) 0.88 5.66 -16.91 3 7 0 92 343.412 6 ↓

    Analogs

    36781205
    36781205

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-(dimethylamino)-2,2-dimethyl-propyl]-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide N-[3-(dimethylamino)-2,2-dimethy…

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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) 3.03 10.27 -78.68 2 6 0 64 361.515 7 ↓
    Mid Mid (pH 6-8) 2.31 10.17 -51.11 3 6 1 67 362.523 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-ethyl-N-(2-methylallyl)acetamide 2-[3-(4-chlorophenyl)-5-thioxo-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) 3.89 10.78 -53.89 0 5 -1 51 349.867 6 ↓
    Mid Mid (pH 6-8) 3.16 10.66 -15.47 1 5 0 54 350.875 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 3.58 9.88 -59.08 1 7 -1 86 395.892 8 ↓
    Mid Mid (pH 6-8) 2.85 9.78 -20.58 2 7 0 89 396.9 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 3.58 9.9 -52.41 1 7 -1 86 395.892 8 ↓
    Mid Mid (pH 6-8) 2.85 9.79 -15.66 2 7 0 89 396.9 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(2-methoxy-5-methyl-phenyl)-4H-1,2,4-triazole-3-thiol 5-(2-methoxy-5-methyl-phenyl)-4H…

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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) 2.65 5.67 -48.04 1 4 -1 51 220.277 2 ↓
    Mid Mid (pH 6-8) 2.65 5.51 -20.98 2 4 0 52 221.285 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-chloroprop-2-enylsulfanyl)-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine 3-(2-chloroprop-2-enylsulfanyl)-…

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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 -1.49 -9.5 2 5 0 66 310.81 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(3-bromophenyl)-5-isopropylsulfanyl-1,2,4-triazol-4-amine 3-(3-bromophenyl)-5-isopropylsul…

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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) 3.40 -2.66 -7.35 2 4 0 57 313.224 3 ↓

    Analogs

    39747933
    39747933
    10242080
    10242080

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-methylhexyl]acetamide 2-[[4-ethyl-5-(2-methoxyphenyl)-…

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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) 4.76 10.83 -15.39 1 6 0 69 390.553 11 ↓

    Analogs

    39747933
    39747933
    10242080
    10242080

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-methylhexyl]acetamide 2-[[4-ethyl-5-(2-methoxyphenyl)-…

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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) 4.76 10.84 -15.38 1 6 0 69 390.553 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

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

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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) 2.98 8.28 -15.86 1 7 0 78 392.525 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide 3-[[4-ethyl-5-(2-methoxyphenyl)-…

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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) 1.88 5.21 -21.82 2 6 0 83 306.391 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide 3-[[4-allyl-5-(2-methoxyphenyl)-…

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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) 2.15 -1.04 -21.57 2 6 0 83 318.402 8 ↓

    Analogs

    7205247
    7205247

    Draw Identity 99% 90% 80% 70%

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

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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) 3.58 8.09 -18.22 2 5 0 74 332.473 7 ↓

    Analogs

    7205247
    7205247

    Draw Identity 99% 90% 80% 70%

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

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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 0.01 -17.67 2 5 0 74 344.484 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1,1-diethylprop-2-ynyl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(1,1-diethylprop-2-ynyl)-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) 3.61 8.98 -16.4 1 6 0 69 372.494 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetam 2-[[4-amino-5-(4-methoxyphenyl)-…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.21 6.72 -14.72 2 7 0 86 375.376 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2R)-2-cyanopropyl]-N-ethyl-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-[(2R)-2-cyanopropyl]-N-ethyl-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) 2.87 10.62 -19.04 0 6 0 75 361.446 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2S)-2-cyanopropyl]-N-ethyl-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-[(2S)-2-cyanopropyl]-N-ethyl-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) 2.87 10.59 -19.56 0 6 0 75 361.446 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2R)-2-cyanopropyl]-N-ethyl-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamid N-[(2R)-2-cyanopropyl]-N-ethyl-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) 2.81 9.82 -16.47 0 7 0 84 373.482 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2S)-2-cyanopropyl]-N-ethyl-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamid N-[(2S)-2-cyanopropyl]-N-ethyl-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) 2.81 9.79 -16.94 0 7 0 84 373.482 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamid 2-[[4-amino-5-(2-methoxyphenyl)-…

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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) 2.81 8.91 -16.24 2 7 0 86 361.471 8 ↓

    Analogs

    20891879
    20891879

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(5-acetonylsulfanyl-4-sec-butyl-1,2,4-triazol-3-yl)-N,N-diethyl-benzenesulfonamide 3-(5-acetonylsulfanyl-4-sec-buty…

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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) 3.32 9.78 -19.14 0 7 0 85 424.592 10 ↓

    Analogs

    20891875
    20891875

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(5-acetonylsulfanyl-4-sec-butyl-1,2,4-triazol-3-yl)-N,N-diethyl-benzenesulfonamide 3-(5-acetonylsulfanyl-4-sec-buty…

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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) 3.32 9.77 -18.36 0 7 0 85 424.592 10 ↓

    Analogs

    20894670
    20894670

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[4-amino-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-propanamide (2S)-2-[[4-amino-5-[3-(diethylsu…

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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) 0.67 3.28 -32.65 5 11 0 166 441.539 8 ↓

    Analogs

    20894667
    20894667

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[[4-amino-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-propanamide (2R)-2-[[4-amino-5-[3-(diethylsu…

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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) 0.67 3.27 -32.88 5 11 0 166 441.539 8 ↓

    Analogs

    20894681
    20894681

    Draw Identity 99% 90% 80% 70%

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

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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) 1.01 3 -22.18 4 9 0 137 398.514 8 ↓

    Analogs

    20894678
    20894678

    Draw Identity 99% 90% 80% 70%

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

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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) 1.01 3 -22.34 4 9 0 137 398.514 8 ↓

    Analogs

    36210045
    36210045
    36210047
    36210047
    36210049
    36210049

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[[5-(2-chlorophenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-cyano-1,2-dim (2R)-2-[[5-(2-chlorophenyl)-4-(3…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.19 10.27 -19.96 1 7 0 93 450.008 10 ↓

    Analogs

    36210047
    36210047
    36210049
    36210049
    36210044
    36210044

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[[5-(2-chlorophenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-cyano-1,2-dim (2R)-2-[[5-(2-chlorophenyl)-4-(3…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.19 10.25 -19.94 1 7 0 93 450.008 10 ↓

    Parameters Provided:

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    //zinc12.docking.org/results/combination?ring.id=1814&filter.purchasability=annotated

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