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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: (E)-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[2-[(4-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) 1.72 10.33 -59.97 0 5 -1 71 274.325 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[4-[(4-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) 1.94 10.49 -54.96 0 5 -1 71 274.325 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[4-methoxy-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[4-methoxy-3-[(4-methyl-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) 1.93 9.84 -56.45 0 6 -1 80 304.351 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[2-methoxy-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[2-methoxy-5-[(4-methyl-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) 1.75 9.84 -61.19 0 6 -1 80 304.351 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[3-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[3-fluoro-4-[(4-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) 2.04 10.5 -54.57 0 5 -1 71 292.315 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[3-[(4-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) 1.92 10.48 -55.8 0 5 -1 71 274.325 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[5-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[5-fluoro-2-[(4-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) 1.86 10.4 -57.62 0 5 -1 71 292.315 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[2-fluoro-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[2-fluoro-5-[(4-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) 1.86 10.52 -57.6 0 5 -1 71 292.315 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) 2.92 2.83 -11.9 0 3 0 30 265.357 4 ↓

    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) 2.84 4.11 -10.72 0 3 0 30 273.283 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[4-isobutyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]propanamide 3-[4-isobutyl-5-[[3-(trifluorome…

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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) 3.25 8.64 -13.72 2 5 0 74 386.443 9 ↓

    Analogs

    7226823
    7226823
    7226835
    7226835
    7226839
    7226839

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[5-[(3-chlorophenyl)methylsulfanyl]-4-isobutyl-1,2,4-triazol-3-yl]propanamide 3-[5-[(3-chlorophenyl)methylsulf…

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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) 3.04 8.42 -13.24 2 5 0 74 352.891 8 ↓

    Analogs

    7103661
    7103661
    7226823
    7226823
    7226835
    7226835
    7226838
    7226838
    7226839
    7226839

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[5-[(2-chlorophenyl)methylsulfanyl]-4-isobutyl-1,2,4-triazol-3-yl]propanamide 3-[5-[(2-chlorophenyl)methylsulf…

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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) 3.01 8.34 -14.17 2 5 0 74 352.891 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[4-allyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-N-methyl-propan-1-amine N-[[4-allyl-5-[(3-fluorophenyl)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) 3.54 3.55 -42.7 1 4 1 35 335.472 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-isobutyl-1,2,4-triazol-3-yl]methyl]pent-4-enamide N-[[5-[(2-chlorophenyl)methylsul…

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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) 4.13 0.25 -11.3 1 5 0 60 392.956 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-amino-5-[(2-bromo-4-fluoro-phenyl)methylsulfanyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-ace 2-[[4-amino-5-[(2-bromo-4-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) 3.28 -2.49 -11.55 2 6 0 77 448.387 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(4-amino-5-benzylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,3-dimethylbutyl)acetamide 2-[(4-amino-5-benzylsulfanyl-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) 3.36 8.56 -11.52 3 6 0 86 379.555 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]pent-4-enamide N-[[5-[(4-fluorophenyl)methylsul…

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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) 2.54 0.66 -11.88 1 5 0 60 334.42 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanamine (2R)-N-methyl-2-[(4-methyl-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) 1.75 8.43 -37.34 2 4 1 47 249.363 5 ↓
    Hi High (pH 8-9.5) 1.75 7.09 -9.58 1 4 0 43 248.355 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanamine (2S)-N-methyl-2-[(4-methyl-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) 1.75 8.36 -37.53 2 4 1 47 249.363 5 ↓
    Hi High (pH 8-9.5) 1.75 7.09 -9.82 1 4 0 43 248.355 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline 2-chloro-5-[(4-methyl-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) 2.06 7.08 -10.31 2 4 0 57 254.746 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(4-chloro-3-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazole 3-[(4-chloro-3-nitro-phenyl)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) 2.54 9.72 -14.79 0 6 0 77 284.728 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[3-[[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]acet 2-[3-[[4-(difluoromethoxy)-5-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) 2.47 10.03 -58.21 0 10 -1 135 431.397 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-ethoxy-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline 4-ethoxy-3-[(4-methyl-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) 1.41 6.79 -12.54 2 5 0 66 264.354 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-isopropyl-5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-amine 4-isopropyl-5-[(2,4,6-trimethylp…

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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) 3.72 11.08 -10.42 2 4 0 57 290.436 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(2,4-dichlorophenyl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(2,4-dichlorophenyl)methylsul…

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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) 3.80 10.29 -10.46 2 4 0 57 317.245 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3-bromo-4-fluoro-phenyl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(3-bromo-4-fluoro-phenyl)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) 3.42 10 -11.08 2 4 0 57 345.241 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(2-fluorophenyl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(2-fluorophenyl)methylsulfany…

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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 9.38 -12.23 2 4 0 57 266.345 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(4-fluorophenyl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(4-fluorophenyl)methylsulfany…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.68 9.41 -10.57 2 4 0 57 266.345 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-isopropyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-amine 4-isopropyl-5-[(3-nitrophenyl)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) 2.45 10.06 -14.9 2 7 0 103 293.352 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-isopropyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-3-amine 4-isopropyl-5-[(2-methyl-3-nitro…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.83 10.55 -14.19 2 7 0 103 307.379 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(2,6-dichlorophenyl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(2,6-dichlorophenyl)methylsul…

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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 10.21 -11.86 2 4 0 57 317.245 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide 3-[(5-amino-4-isopropyl-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) 1.31 6.11 -17.94 4 6 0 100 291.38 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-isopropyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-amine 4-isopropyl-5-[(4-nitrophenyl)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) 2.47 10.06 -13.59 2 7 0 103 293.352 5 ↓

    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) 2.69 9.99 -13.44 2 6 0 83 306.391 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-isopropyl-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-amine 4-isopropyl-5-(o-tolylmethylsulf…

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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) 2.92 9.88 -10.37 2 4 0 57 262.382 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-fluoro-benzonitrile 3-[(5-amino-4-isopropyl-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) 2.36 9.76 -13.66 2 5 0 81 291.355 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-isopropyl-5-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-1,2,4-triazol-3-amine 4-isopropyl-5-[(2-methoxy-5-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) 2.95 9.39 -12.39 2 5 0 66 292.408 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-isopropyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-amine 4-isopropyl-5-[[4-(trifluorometh…

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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) 3.41 10.34 -10.76 2 4 0 57 316.352 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-isopropyl-5-[(2-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-amine 4-isopropyl-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) 2.52 8.72 -12.52 2 5 0 66 278.381 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile 2-[(5-amino-4-isopropyl-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) 2.22 9.58 -15.58 2 5 0 81 273.365 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(2,3-difluorophenyl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(2,3-difluorophenyl)methylsul…

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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) 2.75 9.44 -13.8 2 4 0 57 284.335 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide 4-[(5-amino-4-isopropyl-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) 1.33 6.13 -16.44 4 6 0 100 291.38 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(5-chloro-2-methoxy-phenyl)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) 3.18 9.23 -11.8 2 5 0 66 312.826 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(3-bromo-4-methoxy-phenyl)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) 3.31 9.3 -12.17 2 5 0 66 357.277 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-isopropyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-amine 4-isopropyl-5-(m-tolylmethylsulf…

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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) 2.94 10.01 -10.4 2 4 0 57 262.382 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile 3-[(5-amino-4-isopropyl-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) 2.25 9.73 -13.59 2 5 0 81 273.365 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3-fluorophenyl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(3-fluorophenyl)methylsulfany…

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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 9.41 -11.06 2 4 0 57 266.345 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3-chlorophenyl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(3-chlorophenyl)methylsulfany…

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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) 3.17 9.85 -10.44 2 4 0 57 282.8 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3,5-dimethylphenyl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(3,5-dimethylphenyl)methylsul…

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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) 3.34 10.67 -10.46 2 4 0 57 276.409 4 ↓

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    Structural Results Found: (before additional filtering)

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    //zinc12.docking.org/results/combination?ring.id=2038&filter.purchasability=annotated

    Embed Link to Results

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