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

    32117257
    32117257
    32117258
    32117258

    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) 2.14 1.64 -10.7 0 5 0 57 269.351 5 ↓

    Analogs

    41677986
    41677986
    41677988
    41677988

    Draw Identity 99% 90% 80% 70%


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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) 2.89 1.84 -10.14 0 5 0 57 297.405 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-prop-2-ynyl-2-[[2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]acetamide N-prop-2-ynyl-2-[[2-[3-(2-thieny…

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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) 0.95 4.44 -54.75 2 7 -1 89 334.406 6 ↓
    Mid Mid (pH 6-8) 0.22 4.3 -16.75 3 7 0 92 335.414 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-acetamidoethyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide N-(2-acetamidoethyl)-3-[3-(2-thi…

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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 3.92 -54.77 2 7 -1 89 338.438 7 ↓
    Mid Mid (pH 6-8) -0.13 4.08 -21.32 3 7 0 92 339.446 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[3-ethylsulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide 2-[3-ethylsulfanyl-5-(2-thienyl)…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.39 4.47 -19.45 2 5 0 74 268.367 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-(2-amino-2-oxo-ethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxypropyl)acetamide 2-[[4-(2-amino-2-oxo-ethyl)-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) 0.37 2.65 -23.59 3 8 0 112 369.472 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[2-[[4-(2-amino-2-oxo-ethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethyl-amino]-N-iso 2-[[2-[[4-(2-amino-2-oxo-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) 1.02 5.48 -29.86 3 9 0 123 424.552 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[3-(cyanomethylsulfanyl)-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-methyl-butanoic (2S)-2-[3-(cyanomethylsulfanyl)-…

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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 8.77 -48.39 0 6 -1 95 321.407 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[3-(cyanomethylsulfanyl)-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-methyl-butanoic (2R)-2-[3-(cyanomethylsulfanyl)-…

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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 8.78 -48.49 0 6 -1 95 321.407 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[3-[2-(bis(2-methoxyethyl)amino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-met (2S)-2-[3-[2-(bis(2-methoxyethyl…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.95 8.84 -56.41 0 9 -1 110 455.582 13 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[3-[2-(bis(2-methoxyethyl)amino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-met (2R)-2-[3-[2-(bis(2-methoxyethyl…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.95 8.85 -56.46 0 9 -1 110 455.582 13 ↓

    Analogs

    13034608
    13034608
    13034609
    13034609

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[3-(2-ethylamino-2-oxo-ethyl)sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-methyl-butanoic (2S)-2-[3-(2-ethylamino-2-oxo-et…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.11 7.43 -56.62 1 7 -1 100 367.476 8 ↓

    Analogs

    13034608
    13034608
    13034609
    13034609

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[3-(2-ethylamino-2-oxo-ethyl)sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-methyl-butanoic (2R)-2-[3-(2-ethylamino-2-oxo-et…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.11 7.44 -56.7 1 7 -1 100 367.476 8 ↓

    Analogs

    13034488
    13034488
    13034489
    13034489
    13034490
    13034490
    13034491
    13034491

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    Popular Name: (2S)-2-[3-[2-(1-ethylpropylamino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-methyl-bu (2S)-2-[3-[2-(1-ethylpropylamino…

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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) 3.48 9.81 -56.47 1 7 -1 100 409.557 10 ↓

    Analogs

    13034488
    13034488
    13034489
    13034489
    13034490
    13034490
    13034491
    13034491

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[3-[2-(1-ethylpropylamino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-methyl-bu (2R)-2-[3-[2-(1-ethylpropylamino…

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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) 3.48 9.82 -56.72 1 7 -1 100 409.557 10 ↓

    Analogs

    13034852
    13034852
    13034853
    13034853

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-3-methyl-2-[3-(2-oxo-2-propylamino-ethyl)sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]butanoic (2S)-3-methyl-2-[3-(2-oxo-2-prop…

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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) 2.62 8.19 -56.39 1 7 -1 100 381.503 9 ↓

    Analogs

    13034852
    13034852
    13034853
    13034853

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-3-methyl-2-[3-(2-oxo-2-propylamino-ethyl)sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]butanoic (2R)-3-methyl-2-[3-(2-oxo-2-prop…

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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) 2.62 8.2 -56.48 1 7 -1 100 381.503 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[3-[2-[(4-ethoxy-4-oxo-butyl)amino]-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3- (2S)-2-[3-[2-[(4-ethoxy-4-oxo-bu…

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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 9.91 -59.13 1 9 -1 126 453.566 13 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[3-[2-[(4-ethoxy-4-oxo-butyl)amino]-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3- (2R)-2-[3-[2-[(4-ethoxy-4-oxo-bu…

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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 9.92 -59.19 1 9 -1 126 453.566 13 ↓

    Analogs

    13034355
    13034355
    13034356
    13034356

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    Popular Name: (2S)-2-[3-[2-(diisopropylamino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-methyl-buta (2S)-2-[3-[2-(diisopropylamino)-…

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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) 3.33 11.57 -56.72 0 7 -1 91 423.584 9 ↓

    Analogs

    13034355
    13034355
    13034356
    13034356

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[3-[2-(diisopropylamino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-methyl-buta (2R)-2-[3-[2-(diisopropylamino)-…

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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) 3.33 11.23 -58.04 0 7 -1 91 423.584 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[3-[2-(tert-butylcarbamoylamino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-met (2S)-2-[3-[2-(tert-butylcarbamoy…

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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) 2.57 8.68 -64.62 2 9 -1 129 438.555 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[3-[2-(tert-butylcarbamoylamino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-met (2R)-2-[3-[2-(tert-butylcarbamoy…

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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) 2.57 8.68 -64.82 2 9 -1 129 438.555 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[3-[2-(isopropylcarbamoylamino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-meth (2S)-2-[3-[2-(isopropylcarbamoyl…

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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 8.43 -65.07 2 9 -1 129 424.528 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[3-[2-(isopropylcarbamoylamino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-meth (2R)-2-[3-[2-(isopropylcarbamoyl…

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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 8.44 -65.23 2 9 -1 129 424.528 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[3-[2-(butyl-sec-butyl-amino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-methyl (2S)-2-[3-[2-(butyl-sec-butyl-am…

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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) 4.63 13.35 -57.05 0 7 -1 91 451.638 12 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[3-[2-(butyl-sec-butyl-amino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-methyl (2S)-2-[3-[2-(butyl-sec-butyl-am…

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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) 4.63 13.32 -57.63 0 7 -1 91 451.638 12 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[3-[2-(butyl-sec-butyl-amino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-methyl (2R)-2-[3-[2-(butyl-sec-butyl-am…

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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) 4.63 13.35 -57.61 0 7 -1 91 451.638 12 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[3-[2-(butyl-sec-butyl-amino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-methyl (2R)-2-[3-[2-(butyl-sec-butyl-am…

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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) 4.63 13.31 -57.23 0 7 -1 91 451.638 12 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-3-methyl-2-[3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4- (2S)-3-methyl-2-[3-[2-oxo-2-(2,2…

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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) 2.66 7.88 -53.95 1 7 -1 100 421.446 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-3-methyl-2-[3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4- (2R)-3-methyl-2-[3-[2-oxo-2-(2,2…

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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) 2.66 7.89 -54.04 1 7 -1 100 421.446 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[3-[2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-tria (2S)-2-[3-[2-[[(1R)-1-cyano-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) 3.08 9.34 -60.24 1 8 -1 124 434.567 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[3-[2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-tria (2R)-2-[3-[2-[[(1R)-1-cyano-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) 3.08 9.33 -63.82 1 8 -1 124 434.567 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[3-[2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-tria (2S)-2-[3-[2-[[(1S)-1-cyano-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) 3.08 9.33 -63.83 1 8 -1 124 434.567 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[3-[2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-tria (2R)-2-[3-[2-[[(1S)-1-cyano-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) 3.08 9.33 -61.21 1 8 -1 124 434.567 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[3-[2-(isopentylcarbamoylamino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-meth (2S)-2-[3-[2-(isopentylcarbamoyl…

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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 9.69 -64.5 2 9 -1 129 452.582 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[3-[2-(isopentylcarbamoylamino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-meth (2R)-2-[3-[2-(isopentylcarbamoyl…

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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 9.68 -64.67 2 9 -1 129 452.582 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[3-[2-(allylcarbamoylamino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-methyl-b (2S)-2-[3-[2-(allylcarbamoylamin…

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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) 2.03 8.17 -64.32 2 9 -1 129 422.512 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[3-[2-(allylcarbamoylamino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-methyl-b (2R)-2-[3-[2-(allylcarbamoylamin…

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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) 2.03 8.18 -64.43 2 9 -1 129 422.512 9 ↓

    Analogs

    13033910
    13033910
    13033912
    13033912
    13033914
    13033914
    13033916
    13033916

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[3-[(1R)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4- (2S)-2-[3-[(1R)-2-(ethylcarbamoy…

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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 8.34 -63.75 2 9 -1 129 424.528 8 ↓

    Analogs

    13033910
    13033910
    13033912
    13033912
    13033914
    13033914
    13033916
    13033916

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[3-[(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4- (2S)-2-[3-[(1S)-2-(ethylcarbamoy…

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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 8.35 -65.61 2 9 -1 129 424.528 8 ↓

    Analogs

    13033910
    13033910
    13033912
    13033912
    13033914
    13033914
    13033916
    13033916

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[3-[(1R)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4- (2R)-2-[3-[(1R)-2-(ethylcarbamoy…

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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 8.34 -65.86 2 9 -1 129 424.528 8 ↓

    Analogs

    13033910
    13033910
    13033912
    13033912
    13033914
    13033914
    13033916
    13033916

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[3-[(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4- (2R)-2-[3-[(1S)-2-(ethylcarbamoy…

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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 8.35 -64.41 2 9 -1 129 424.528 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[3-[(1S)-1-cyanoethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-methyl-butanoic (2S)-2-[3-[(1S)-1-cyanoethyl]sul…

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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) 2.78 10.23 -44.52 0 6 -1 95 335.434 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[3-[(1S)-1-cyanoethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-methyl-butanoic (2R)-2-[3-[(1S)-1-cyanoethyl]sul…

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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) 2.78 10.37 -46.13 0 6 -1 95 335.434 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[3-[(1R)-1-cyanoethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-methyl-butanoic (2S)-2-[3-[(1R)-1-cyanoethyl]sul…

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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) 2.78 10.24 -44.94 0 6 -1 95 335.434 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[3-[(1R)-1-cyanoethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-methyl-butanoic (2R)-2-[3-[(1R)-1-cyanoethyl]sul…

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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) 2.78 10.38 -45.86 0 6 -1 95 335.434 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[3-[2-(isobutylcarbamoylamino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-methy (2S)-2-[3-[2-(isobutylcarbamoyla…

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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) 2.51 9.15 -64.22 2 9 -1 129 438.555 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[3-[2-(isobutylcarbamoylamino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]-3-methy (2R)-2-[3-[2-(isobutylcarbamoyla…

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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) 2.51 9.16 -64.38 2 9 -1 129 438.555 9 ↓

    Analogs

    13033494
    13033494
    13033496
    13033496
    13033791
    13033791
    13033793
    13033793

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-3-methyl-2-[3-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]bu (2S)-3-methyl-2-[3-[2-oxo-2-(pro…

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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) 2.27 8.39 -64.64 2 9 -1 129 424.528 9 ↓

    Parameters Provided:

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filter.purchasability = annotated
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    Structural Results Found: (before additional filtering)

    SQL Query Was

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    //zinc12.docking.org/results/combination?ring.id=3936&filter.purchasability=annotated

    Embed Link to Results

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