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    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: tert-butyl tert-butyl

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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) 1.52 6.62 -11.7 4 7 0 98 335.433 6 ↓
    Mid Mid (pH 6-8) 2.25 6.58 -45.42 3 7 -1 95 334.425 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-[[3-(2-furyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]-2-methoxy-phenyl] [4-[[3-(2-furyl)-5-thioxo-1H-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) 1.28 1.57 -19.25 1 8 0 94 358.379 6 ↓

    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) 3.22 11.14 -11.84 1 4 0 43 311.41 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-4-ethyl-2H-1,2,4-triazole-3-thione 5-[[5-(3,4-dimethoxyphenyl)tetra…

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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 -0.93 -19.97 1 9 0 95 347.404 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamid 3-[3-(4-methoxyphenyl)-5-thioxo-…

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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) 1.82 -6.57 -21.11 2 8 0 106 460.581 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamid 3-[3-(4-methoxyphenyl)-5-thioxo-…

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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) 1.82 -6.57 -22.16 2 8 0 106 460.581 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-ethyl-5-(N-ethyl-3-methyl-anilino)-1,2,4-triazole-3-thiol 4-ethyl-5-(N-ethyl-3-methyl-anil…

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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 11.11 -10.88 1 4 0 37 262.382 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(N-ethyl-3-methyl-anilino)-4-propyl-1,2,4-triazole-3-thiol 5-(N-ethyl-3-methyl-anilino)-4-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) 3.25 11.85 -10.47 1 4 0 37 276.409 5 ↓
    Mid Mid (pH 6-8) 3.97 11.28 -47.2 0 4 -1 34 275.401 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(N-ethyl-3-methyl-anilino)-4-methyl-1,2,4-triazole-3-thiol 5-(N-ethyl-3-methyl-anilino)-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) 2.37 10.43 -11.15 1 4 0 37 248.355 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(N-ethyl-3-methyl-anilino)-4-isopropyl-1,2,4-triazole-3-thiol 5-(N-ethyl-3-methyl-anilino)-4-i…

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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) 3.11 10.95 -8.78 1 4 0 37 276.409 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-cyclopropyl-5-(N-ethyl-3-methyl-anilino)-1,2,4-triazole-3-thiol 4-cyclopropyl-5-(N-ethyl-3-methy…

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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) 2.73 11.31 -9.84 1 4 0 37 274.393 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-isopropyl-1,3-benzoxazol-5-yl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide N-(2-isopropyl-1,3-benzoxazol-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) 3.20 7.19 -29.31 2 7 0 89 399.501 5 ↓
    Mid Mid (pH 6-8) 3.92 7.03 -69.46 1 7 -1 86 398.493 5 ↓

    Analogs

    32919398
    32919398
    32919400
    32919400

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-cyclohexyl-3-[(1S)-1-phenoxyethyl]-1H-1,2,4-triazole-5-thione 4-cyclohexyl-3-[(1S)-1-phenoxyet…

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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) 3.47 9.86 -12.01 1 4 0 43 303.431 4 ↓
    Mid Mid (pH 6-8) 4.20 9.7 -47.86 0 4 -1 40 302.423 4 ↓

    Analogs

    32919398
    32919398
    32919400
    32919400

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-cyclohexyl-3-[(1R)-1-phenoxyethyl]-1H-1,2,4-triazole-5-thione 4-cyclohexyl-3-[(1R)-1-phenoxyet…

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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) 3.47 9.86 -11.98 1 4 0 43 303.431 4 ↓
    Mid Mid (pH 6-8) 4.20 9.7 -47.86 0 4 -1 40 302.423 4 ↓

    Analogs

    32919398
    32919398
    32919400
    32919400

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-cyclohexyl-3-[(1S)-1-(4-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-thione 4-cyclohexyl-3-[(1S)-1-(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) 3.92 10.53 -11.89 1 4 0 43 317.458 4 ↓
    Mid Mid (pH 6-8) 4.65 10.37 -47.73 0 4 -1 40 316.45 4 ↓

    Analogs

    32919398
    32919398
    32919400
    32919400

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-cyclohexyl-3-[(1R)-1-(4-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-thione 4-cyclohexyl-3-[(1R)-1-(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) 3.92 10.53 -11.87 1 4 0 43 317.458 4 ↓
    Mid Mid (pH 6-8) 4.65 10.37 -47.75 0 4 -1 40 316.45 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-ethyl-5-[3-methoxypropyl(methyl)amino]-1,2,4-triazole-3-thiol 4-ethyl-5-[3-methoxypropyl(methy…

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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) 0.50 7.26 -12.95 1 5 0 46 230.337 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[3-methoxypropyl(methyl)amino]-4-phenyl-1,2,4-triazole-3-thiol 5-[3-methoxypropyl(methyl)amino]…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.40 9.8 -13.17 1 5 0 46 278.381 6 ↓
    Lo Low (pH 4.5-6) 1.40 9.9 -44.2 2 5 1 47 279.389 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[3-methoxypropyl(methyl)amino]-4-methyl-1,2,4-triazole-3-thiol 5-[3-methoxypropyl(methyl)amino]…

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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) 0.12 6.59 -13.32 1 5 0 46 216.31 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-cyclopentyl-5-[3-methoxypropyl(methyl)amino]-1,2,4-triazole-3-thiol 4-cyclopentyl-5-[3-methoxypropyl…

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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) 1.52 8.52 -12.09 1 5 0 46 270.402 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-isopropyl-5-[3-methoxypropyl(methyl)amino]-1,2,4-triazole-3-thiol 4-isopropyl-5-[3-methoxypropyl(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) 0.86 7.43 -11.86 1 5 0 46 244.364 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-cyclopropyl-5-[3-methoxypropyl(methyl)amino]-1,2,4-triazole-3-thiol 4-cyclopropyl-5-[3-methoxypropyl…

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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) 0.49 7.82 -13.3 1 5 0 46 242.348 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-cyclohexyl-5-[3-methoxypropyl(methyl)amino]-1,2,4-triazole-3-thiol 4-cyclohexyl-5-[3-methoxypropyl(…

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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 9.31 -11.77 1 5 0 46 284.429 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-ethyl-5-[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]-1,2,4-triazole-3-thiol 4-ethyl-5-[4-(pyrrolidin-1-ylmet…

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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) 1.45 11.58 -50.94 2 5 1 41 296.464 4 ↓
    Mid Mid (pH 6-8) 2.18 11.7 -70.35 1 5 0 38 295.456 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-5-[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]-1,2,4-triazole-3-thiol 4-methyl-5-[4-(pyrrolidin-1-ylme…

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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) 1.07 10.94 -50.35 2 5 1 41 282.437 3 ↓
    Mid Mid (pH 6-8) 1.80 10.83 -69.45 1 5 0 38 281.429 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-isopropyl-5-[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]-1,2,4-triazole-3-thiol 4-isopropyl-5-[4-(pyrrolidin-1-y…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.81 11.74 -48.98 2 5 1 41 310.491 4 ↓
    Mid Mid (pH 6-8) 2.54 12.05 -68.58 1 5 0 38 309.483 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-cyclopropyl-5-[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]-1,2,4-triazole-3-thiol 4-cyclopropyl-5-[4-(pyrrolidin-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) 1.44 11.72 -49.41 2 5 1 41 308.475 4 ↓
    Mid Mid (pH 6-8) 2.17 12.21 -74.66 1 5 0 38 307.467 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-ethyl-4-[(2,3,4,5,6-pentafluorophenyl)methyleneamino]-1H-1,2,4-triazole-5-thione 3-ethyl-4-[(2,3,4,5,6-pentafluor…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.07 7.68 -10.22 1 4 0 46 322.262 3 ↓
    Hi High (pH 8-9.5) 2.80 7.82 -47.63 0 4 -1 43 321.254 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-(5-chloro-2-methoxy-phenyl)-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) 3.48 9.46 -17.23 2 6 0 72 388.88 5 ↓
    Mid Mid (pH 6-8) 4.20 9.62 -59.02 1 6 -1 69 387.872 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

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

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.93 9.65 -14.5 2 5 0 63 342.399 4 ↓
    Mid Mid (pH 6-8) 3.66 9.8 -54.78 1 5 -1 60 341.391 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-chloro-2-fluoro-phenyl)-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-(4-chloro-2-fluoro-phenyl)-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) 3.58 10.17 -13.29 2 5 0 63 376.844 4 ↓
    Mid Mid (pH 6-8) 4.31 10.32 -51.25 1 5 -1 60 375.836 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-methoxy-5-methyl-phenyl)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide N-(2-methoxy-5-methyl-phenyl)-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) 2.86 8.28 -16.86 2 7 0 81 384.461 6 ↓
    Mid Mid (pH 6-8) 3.58 8.34 -55.72 1 7 -1 78 383.453 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-methoxy-5-methyl-phenyl)-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-(2-methoxy-5-methyl-phenyl)-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) 3.25 9.63 -16.24 2 6 0 72 368.462 5 ↓
    Mid Mid (pH 6-8) 3.97 9.78 -58.63 1 6 -1 69 367.454 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

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

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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 9.98 -28.67 2 6 0 80 366.446 5 ↓
    Mid Mid (pH 6-8) 3.42 10.06 -74.51 1 6 -1 77 365.438 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

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

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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) 3.20 9.91 -15.67 2 6 0 72 368.462 6 ↓
    Mid Mid (pH 6-8) 3.93 9.97 -55.95 1 6 -1 69 367.454 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]-N-(5-quinolyl)acetamide 2-[3-(p-tolyl)-5-sulfanyl-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) 3.07 10.04 -20.23 2 6 0 76 375.457 4 ↓
    Mid Mid (pH 6-8) 3.80 10.19 -59.18 1 6 -1 73 374.449 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide 2-[3-(4-methoxyphenyl)-5-thioxo-…

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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 10.35 -17.07 1 6 0 63 374.51 5 ↓
    Mid Mid (pH 6-8) 3.37 10.44 -57.98 0 6 -1 60 373.502 5 ↓

    Analogs

    23644783
    23644783

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]-N-ethyl-propanamide 3-[4-butyl-3-(4-chlorophenyl)-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) 3.50 10.72 -13.47 1 5 0 52 366.918 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-amino-5-[(3-chlorophenyl)methyl]-1,2,4-triazole-3-thiol 4-amino-5-[(3-chlorophenyl)methy…

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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) 1.55 6.44 -11.91 3 4 0 60 240.719 2 ↓
    Mid Mid (pH 6-8) 2.28 6.32 -40.41 2 4 -1 57 239.711 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-amino-5-[2-(p-tolyl)ethyl]-1,2,4-triazole-3-thiol 4-amino-5-[2-(p-tolyl)ethyl]-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) 1.37 7.4 -10.44 3 4 0 60 234.328 3 ↓
    Mid Mid (pH 6-8) 2.10 7.27 -40.56 2 4 -1 57 233.32 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[2-(1,3-benzothiazol-2-ylamino)ethyl]-4-[(E)-(4-dimethylaminophenyl)methyleneamino]-1,2,4-triazole 5-[2-(1,3-benzothiazol-2-ylamino…

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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 11.25 -25.67 2 7 0 74 423.571 7 ↓
    Hi High (pH 8-9.5) 4.03 11.74 -56 1 7 -1 71 422.563 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[2-(1,3-benzothiazol-2-ylamino)ethyl]-4-[(E)-(3,4-dimethoxyphenyl)methyleneamino]-1,2,4-triazole-3 5-[2-(1,3-benzothiazol-2-ylamino…

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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) 2.85 10.03 -27.25 2 8 0 89 440.554 8 ↓
    Hi High (pH 8-9.5) 3.58 10.52 -54.36 1 8 -1 86 439.546 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide N-[(1S)-1-(2-methoxyphenyl)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) 2.96 9.12 -15.78 2 7 0 81 412.515 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide N-[(1R)-1-(2-methoxyphenyl)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) 2.96 9.09 -15.65 2 7 0 81 412.515 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide N-[(1R)-1-(2-methoxyphenyl)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) 3.35 10.46 -14.79 2 6 0 72 396.516 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide N-[(1S)-1-(2-methoxyphenyl)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) 3.35 10.49 -14.91 2 6 0 72 396.516 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(4-Bromo-phenyl)-4-cyclohexyl-4H-[1,2,4]triazole-3-thiol 5-(4-Bromo-phenyl)-4-cyclohexyl-…

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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) 4.28 10.2 -9.46 1 3 0 34 338.274 2 ↓
    Mid Mid (pH 6-8) 5.00 10.04 -43.69 0 3 -1 31 337.266 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Cyclohexyl-5-(2-methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol 4-Cyclohexyl-5-(2-methoxy-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) 3.48 8.99 -12.3 1 4 0 43 289.404 3 ↓
    Mid Mid (pH 6-8) 4.20 8.83 -52.98 0 4 -1 40 288.396 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pr 3-[3-(4-methoxyphenyl)-5-thioxo-…

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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 12 -13.91 1 6 0 63 428.583 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pro 3-[3-(4-ethoxyphenyl)-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) 3.45 12.93 -13.61 1 6 0 63 442.61 9 ↓

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    SQL Query Was

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