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

    904407
    904407
    904382
    904382
    4814720
    4814720

    Draw Identity 99% 90% 80% 70%

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

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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 11.15 -14.4 1 6 0 73 401.561 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

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

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.50 -2.24 -12.95 2 6 0 83 331.426 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[5-[4-(diethylsulfamoyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylthiazol-2-yl)-ace 2-[[5-[4-(diethylsulfamoyl)pheny…

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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 -4.36 -18.54 1 9 0 110 494.668 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methylthiazol-2-yl)-acetamide 2-[[4-ethyl-5-(4-nitrophenyl)-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) 2.91 -0.16 -18.21 1 9 0 118 404.477 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[5-[4-(diethylsulfamoyl)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-thiazol-2-yl-acetamide 2-[[5-[4-(diethylsulfamoyl)pheny…

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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 -4.38 -21.4 1 9 0 110 480.641 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-allyl-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylthiazol-2-yl)-acetamide 2-[[4-allyl-5-(3-fluorophenyl)-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) 3.36 0.32 -12.55 1 6 0 72 389.481 7 ↓

    Analogs

    39755960
    39755960
    39755961
    39755961

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-allyl-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-thiazol-2-yl-acetamide 2-[[4-allyl-5-(3-fluorophenyl)-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) 3.13 0.37 -15.63 1 6 0 72 375.454 7 ↓

    Analogs

    39755131
    39755131
    39755822
    39755822
    39760232
    39760232
    39767300
    39767300
    39767690
    39767690

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4,5-dimethylthiazol-2-yl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(4,5-dimethylthiazol-2-yl)-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) 2.83 -0.82 -19.95 1 7 0 81 389.506 6 ↓

    Analogs

    39750452
    39750452
    39750453
    39750453
    39750866
    39750866
    39750867
    39750867
    39755058
    39755058

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4,5-dimethylthiazol-2-yl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamid N-(4,5-dimethylthiazol-2-yl)-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) 3.19 -0.54 -18.98 1 7 0 81 403.533 6 ↓

    Analogs

    39750452
    39750452
    39750453
    39750453
    39750866
    39750866
    39750867
    39750867
    39755058
    39755058

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4,5-dimethylthiazol-2-yl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamid N-(4,5-dimethylthiazol-2-yl)-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) 3.19 -0.53 -19.01 1 7 0 81 403.533 6 ↓

    Analogs

    39741793
    39741793
    39744544
    39744544
    39755131
    39755131
    39755822
    39755822
    39767690
    39767690

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4,5-dimethylthiazol-2-yl)-2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(4,5-dimethylthiazol-2-yl)-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) 3.20 -0.57 -19.51 1 7 0 81 403.533 7 ↓

    Analogs

    39741793
    39741793
    39744544
    39744544
    39755131
    39755131
    39755822
    39755822
    39758471
    39758471

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4,5-dimethylthiazol-2-yl)-acetamide 2-[[4-allyl-5-(3-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) 3.47 -0.18 -17.19 1 7 0 81 415.544 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylthiazol-2-yl)-propanami 2-[[5-(3,4-dimethoxyphenyl)-4-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) 2.58 -0.37 -16.11 1 8 0 91 419.532 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylthiazol-2-yl)-propanami 2-[[5-(3,4-dimethoxyphenyl)-4-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) 2.58 -0.35 -16.15 1 8 0 91 419.532 7 ↓

    Analogs

    39744438
    39744438
    39744440
    39744440
    39752514
    39752514
    39755778
    39755778
    39755779
    39755779

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4,5-dimethylthiazol-2-yl)-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide N-(4,5-dimethylthiazol-2-yl)-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) 3.54 -0.17 -19.07 1 7 0 81 417.56 7 ↓

    Analogs

    39744438
    39744438
    39744440
    39744440
    39752514
    39752514
    39755778
    39755778
    39755779
    39755779

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4,5-dimethylthiazol-2-yl)-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide N-(4,5-dimethylthiazol-2-yl)-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) 3.54 -0.18 -18.99 1 7 0 81 417.56 7 ↓

    Analogs

    39749536
    39749536
    39756980
    39756980
    39756981
    39756981
    39759514
    39759514
    39759515
    39759515

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-thiazol-2-yl-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) 3.37 0.1 -18.21 1 7 0 81 401.517 8 ↓

    Analogs

    39749536
    39749536
    39756980
    39756980
    39756981
    39756981
    39759514
    39759514
    39759515
    39759515

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-thiazol-2-yl-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) 3.37 0.09 -18.33 1 7 0 81 401.517 8 ↓

    Analogs

    39752514
    39752514
    39757003
    39757003
    39967853
    39967853

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4,5-dimethylthiazol-2-yl)-acetamide 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) 3.45 -0.01 -19.52 1 7 0 81 415.544 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylthiazol-2-yl)-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) 3.59 0.11 -15.35 1 7 0 81 415.544 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylthiazol-2-yl)-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) 3.59 0.11 -15.28 1 7 0 81 415.544 8 ↓

    Analogs

    39965431
    39965431

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylthiazol-2-yl)-acetamide 2-[[5-(3-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) 2.60 -0.97 -16.6 1 7 0 81 375.479 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-thiazol-2-yl-acetamide 2-[[5-(3-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) 2.38 -0.99 -19.49 1 7 0 81 361.452 6 ↓

    Analogs

    39755131
    39755131

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylthiazol-2-yl)-acetamide 2-[[4-ethyl-5-(3-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 -0.73 -16.13 1 7 0 81 389.506 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-thiazol-2-yl-acetamide 2-[[4-ethyl-5-(3-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) 2.76 -0.74 -19.14 1 7 0 81 375.479 7 ↓

    Analogs

    39747550
    39747550
    39747551
    39747551

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-thiazol-2-yl-propanamide 2-[[4-allyl-5-(3-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) 3.39 0 -17.48 1 7 0 81 401.517 8 ↓

    Analogs

    39747550
    39747550
    39747551
    39747551

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-thiazol-2-yl-propanamide 2-[[4-allyl-5-(3-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) 3.39 -0.05 -18.33 1 7 0 81 401.517 8 ↓

    Analogs

    39965788
    39965788

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylthiazol-2-yl)-acetamide 2-[[4-allyl-5-(3-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) 3.25 -0.4 -13.65 1 7 0 81 401.517 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-thiazol-2-yl-acetamide 2-[[4-allyl-5-(3-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) 3.03 -0.35 -16.76 1 7 0 81 387.49 8 ↓

    Analogs

    39749536
    39749536
    39755882
    39755882
    39756980
    39756980
    39756981
    39756981
    4498580
    4498580

    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 -0.63 -19.55 1 7 0 81 375.479 7 ↓

    Analogs

    39749536
    39749536
    39757003
    39757003
    39967853
    39967853

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylthiazol-2-yl)-acetamide 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) 3.23 -0.18 -16.35 1 7 0 81 401.517 8 ↓

    Analogs

    39749536
    39749536
    39755882
    39755882
    39759911
    39759911
    39759912
    39759912
    4498580
    4498580

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-thiazol-2-yl-acetamide 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) 3.00 -0.19 -19.49 1 7 0 81 387.49 8 ↓

    Analogs

    39755415
    39755415
    6479037
    6479037

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-isopropyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-thiazol-2-yl-acetamide 2-[[4-isopropyl-5-(m-tolyl)-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) 3.52 9.81 -16.46 1 6 0 73 373.507 6 ↓

    Parameters Provided:

    ring.id = 1361
filter.purchasability = annotated
page.format = targets
page.num = 1

    Structural Results Found: (before additional filtering)

    SQL Query Was

    SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 1361 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=1361&filter.purchasability=annotated

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