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

    Analogs

    16663379
    16663379
    16666795
    16666795
    16695889
    16695889

    Draw Identity 99% 90% 80% 70%

    Popular Name: BRD-K82898472-245-01-3 BRD-K82898472-245-01-3

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 5.26 -0.62 -8.76 0 3 0 38 346.817 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(cyano-dimethoxy-BLAHylidene)-2-fluoro-benzamide N-(cyano-dimethoxy-BLAHylidene)-…

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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 10.35 -16.15 0 6 0 75 405.429 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: BRD-K12688683-245-01-8 BRD-K12688683-245-01-8

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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) 5.76 0.7 -8.8 0 3 0 38 335.79 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(6-ethyl-2-phenyl-chromen-4-ylidene)aminoethanol 2-(6-ethyl-2-phenyl-chromen-4-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) 4.71 -2.21 -9.12 1 3 0 45 293.366 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-chloro-2-methoxy-4-[(E)-[3-(methylthio)-5-phenyl-1,2,4-triazol-4-yl]iminomethyl]phenol 5-chloro-2-methoxy-4-[(E)-[3-(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) 3.87 0.83 -13.98 1 6 0 72 374.853 5 ↓

    Analogs

    1961652
    1961652
    1961654
    1961654
    12128562
    12128562
    12128567
    12128567

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-(6-methyl-2-phenyl-chromen-4-ylidene)-[[(2S)-tetrahydrofuran-2-yl]methyl]amine (E)-(6-methyl-2-phenyl-chromen-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) 5.25 -0.97 -8.87 0 3 0 34 319.404 3 ↓

    Analogs

    1961652
    1961652
    1961654
    1961654
    12128562
    12128562
    12128567
    12128567

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-(6-methyl-2-phenyl-chromen-4-ylidene)-[[(2R)-tetrahydrofuran-2-yl]methyl]amine (E)-(6-methyl-2-phenyl-chromen-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) 5.25 -0.86 -9.87 0 3 0 34 319.404 3 ↓

    Analogs

    1961652
    1961652
    1961654
    1961654

    Draw Identity 99% 90% 80% 70%

    Popular Name: BRD-A43533565-245-01-4 BRD-A43533565-245-01-4

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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) 5.48 -1.41 -7.77 0 3 0 35 339.822 3 ↓

    Analogs

    1961652
    1961652
    1961654
    1961654

    Draw Identity 99% 90% 80% 70%

    Popular Name: BRD-A43533565-245-01-4 BRD-A43533565-245-01-4

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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) 5.48 -1.33 -9.11 0 3 0 35 339.822 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-chloro-4-[(E)-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]iminomethyl]-2-methoxy-phe 5-chloro-4-[(E)-[3-(3,5-dimethyl…

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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) 1.84 2.87 -14.85 1 8 0 90 360.805 4 ↓

    Analogs

    6131582
    6131582

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(6-methyl-2-phenyl-chromen-4-ylidene)aminopropan-1-ol 3-(6-methyl-2-phenyl-chromen-4-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) 4.51 -2.3 -9.54 1 3 0 45 293.366 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)-methylene]aminoiminomethyl]-2,6-ditert-butyl-phenol 4-[[amino-(4-amino-1,2,5-oxadiaz…

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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 0.96 -5.47 5 8 0 135 358.446 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-bromo-N-(2-methoxyethyl)-2-phenyl-chromen-4-imine 6-bromo-N-(2-methoxyethyl)-2-phe…

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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) 5.22 -1.23 -7.14 0 3 0 34 358.235 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol 4-(5-amino-1,3,4-thiadiazol-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) 1.58 0.83 -9.41 3 4 0 72 193.231 1 ↓

    Analogs

    3642172
    3642172

    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) 4.23 11.08 -17.41 2 7 0 77 440.503 6 ↓
    Lo Low (pH 4.5-6) 4.23 11.12 -37.62 3 7 1 79 441.511 6 ↓

    Analogs

    3642176
    3642176

    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) 4.23 11.13 -17.21 2 7 0 77 440.503 6 ↓
    Lo Low (pH 4.5-6) 4.23 11.25 -37.53 3 7 1 79 441.511 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R,7S)-N-[3,5-dimethyl-1-(4-methylbenzyl)pyrazol-4-yl]-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetr (5R,7S)-N-[3,5-dimethyl-1-(4-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) 4.25 10.44 -16.78 2 8 0 90 498.509 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R,7R)-N-[3,5-dimethyl-1-(4-methylbenzyl)pyrazol-4-yl]-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetr (5R,7R)-N-[3,5-dimethyl-1-(4-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) 4.25 10.2 -17.91 2 8 0 90 498.509 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S,7S)-N-[3,5-dimethyl-1-(4-methylbenzyl)pyrazol-4-yl]-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetr (5S,7S)-N-[3,5-dimethyl-1-(4-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) 4.25 10.19 -18.06 2 8 0 90 498.509 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S,7R)-N-[3,5-dimethyl-1-(4-methylbenzyl)pyrazol-4-yl]-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetr (5S,7R)-N-[3,5-dimethyl-1-(4-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) 4.25 10.44 -16.3 2 8 0 90 498.509 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S,7R)-7-(difluoromethyl)-5-(p-tolyl)-N-veratryl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carb (5S,7R)-7-(difluoromethyl)-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) 3.25 9.18 -17.11 2 7 0 77 456.493 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R,7R)-7-(difluoromethyl)-5-(p-tolyl)-N-veratryl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carb (5R,7R)-7-(difluoromethyl)-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) 3.25 8.45 -17.69 2 7 0 77 456.493 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S,7S)-7-(difluoromethyl)-5-(p-tolyl)-N-veratryl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carb (5S,7S)-7-(difluoromethyl)-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) 3.25 8.46 -14.93 2 7 0 77 456.493 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R,7S)-7-(difluoromethyl)-5-(p-tolyl)-N-veratryl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carb (5R,7S)-7-(difluoromethyl)-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) 3.25 9.19 -13.1 2 7 0 77 456.493 7 ↓

    Analogs

    918527
    918527

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R,7S)-5-(2-furyl)-7-(trifluoromethyl)-N-veratryl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-car (5R,7S)-5-(2-furyl)-7-(trifluoro…

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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 6.35 -14.41 2 8 0 91 450.417 7 ↓

    Analogs

    918530
    918530
    918532
    918532
    918527
    918527

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R,7R)-5-(2-furyl)-7-(trifluoromethyl)-N-veratryl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-car (5R,7R)-5-(2-furyl)-7-(trifluoro…

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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 6.1 -16.2 2 8 0 91 450.417 7 ↓

    Analogs

    918532
    918532
    918527
    918527

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S,7S)-5-(2-furyl)-7-(trifluoromethyl)-N-veratryl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-car (5S,7S)-5-(2-furyl)-7-(trifluoro…

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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 6.11 -16.14 2 8 0 91 450.417 7 ↓

    Analogs

    918529
    918529
    918530
    918530
    918532
    918532

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S,7R)-5-(2-furyl)-7-(trifluoromethyl)-N-veratryl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-car (5S,7R)-5-(2-furyl)-7-(trifluoro…

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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 6.35 -14.56 2 8 0 91 450.417 7 ↓

    Analogs

    3645209
    3645209

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S,7R)-N-[1-(4-fluorobenzyl)pyrazol-4-yl]-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazol (5S,7R)-N-[1-(4-fluorobenzyl)pyr…

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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 8.7 -17.31 2 8 0 90 474.418 6 ↓

    Analogs

    3645209
    3645209

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R,7R)-N-[1-(4-fluorobenzyl)pyrazol-4-yl]-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazol (5R,7R)-N-[1-(4-fluorobenzyl)pyr…

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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 8.44 -18.6 2 8 0 90 474.418 6 ↓

    Analogs

    3645209
    3645209

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S,7S)-N-[1-(4-fluorobenzyl)pyrazol-4-yl]-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazol (5S,7S)-N-[1-(4-fluorobenzyl)pyr…

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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 8.44 -18.6 2 8 0 90 474.418 6 ↓

    Analogs

    919789
    919789

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R,7S)-N-[1-(4-fluorobenzyl)pyrazol-4-yl]-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazol (5R,7S)-N-[1-(4-fluorobenzyl)pyr…

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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 8.7 -17.37 2 8 0 90 474.418 6 ↓

    Analogs

    918624
    918624

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R,7S)-5-(2-furyl)-N-[2-(4-methoxyphenyl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5- (5R,7S)-5-(2-furyl)-N-[2-(4-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) 3.54 7.23 -13.79 2 7 0 81 434.418 7 ↓

    Analogs

    3645183
    3645183

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R,7R)-5-(2-furyl)-N-[2-(4-methoxyphenyl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5- (5R,7R)-5-(2-furyl)-N-[2-(4-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) 3.54 6.99 -15.25 2 7 0 81 434.418 7 ↓

    Analogs

    3645183
    3645183

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S,7S)-5-(2-furyl)-N-[2-(4-methoxyphenyl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5- (5S,7S)-5-(2-furyl)-N-[2-(4-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) 3.54 6.98 -15.28 2 7 0 81 434.418 7 ↓

    Analogs

    3645183
    3645183

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S,7R)-5-(2-furyl)-N-[2-(4-methoxyphenyl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5- (5S,7R)-5-(2-furyl)-N-[2-(4-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) 3.54 7.23 -13.76 2 7 0 81 434.418 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R,7S)-5-(2-furyl)-N-(5-methyl-2-phenyl-pyrazol-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazol (5R,7S)-5-(2-furyl)-N-(5-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) 3.45 9.93 -14.57 2 8 0 90 456.428 5 ↓
    Hi High (pH 8-9.5) 3.69 8.74 -42.19 2 8 0 101 456.428 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R,7R)-5-(2-furyl)-N-(5-methyl-2-phenyl-pyrazol-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazol (5R,7R)-5-(2-furyl)-N-(5-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) 3.45 9.68 -15.93 2 8 0 90 456.428 5 ↓
    Hi High (pH 8-9.5) 3.69 8.66 -43.11 2 8 0 101 456.428 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S,7S)-5-(2-furyl)-N-(5-methyl-2-phenyl-pyrazol-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazol (5S,7S)-5-(2-furyl)-N-(5-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) 3.45 9.68 -16.01 2 8 0 90 456.428 5 ↓
    Hi High (pH 8-9.5) 3.69 8.65 -43.23 2 8 0 101 456.428 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S,7R)-5-(2-furyl)-N-(5-methyl-2-phenyl-pyrazol-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazol (5S,7R)-5-(2-furyl)-N-(5-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) 3.45 9.92 -14.3 2 8 0 90 456.428 5 ↓
    Hi High (pH 8-9.5) 3.69 8.73 -42.35 2 8 0 101 456.428 5 ↓

    Analogs

    3645202
    3645202

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R,7S)-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydro (5R,7S)-N-[(1-ethyl-3-methyl-pyr…

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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 6.37 -14.51 2 8 0 90 422.411 6 ↓

    Analogs

    3645202
    3645202
    3645203
    3645203

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R,7R)-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydro (5R,7R)-N-[(1-ethyl-3-methyl-pyr…

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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 6.13 -15.99 2 8 0 90 422.411 6 ↓

    Analogs

    3645202
    3645202
    3645203
    3645203

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S,7S)-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydro (5S,7S)-N-[(1-ethyl-3-methyl-pyr…

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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 6.13 -16.14 2 8 0 90 422.411 6 ↓

    Analogs

    3645203
    3645203
    919701
    919701

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S,7R)-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydro (5S,7R)-N-[(1-ethyl-3-methyl-pyr…

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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 6.37 -14.16 2 8 0 90 422.411 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R,7S)-5-(2-furyl)-N-[1-(4-methylbenzyl)pyrazol-3-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazol (5R,7S)-5-(2-furyl)-N-[1-(4-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) 4.00 10.32 -15.64 2 8 0 90 470.455 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R,7R)-5-(2-furyl)-N-[1-(4-methylbenzyl)pyrazol-3-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazol (5R,7R)-5-(2-furyl)-N-[1-(4-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) 4.00 10.08 -17.54 2 8 0 90 470.455 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S,7S)-5-(2-furyl)-N-[1-(4-methylbenzyl)pyrazol-3-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazol (5S,7S)-5-(2-furyl)-N-[1-(4-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) 4.00 10.08 -17.57 2 8 0 90 470.455 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S,7R)-5-(2-furyl)-N-[1-(4-methylbenzyl)pyrazol-3-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazol (5S,7R)-5-(2-furyl)-N-[1-(4-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) 4.00 10.32 -15.7 2 8 0 90 470.455 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S,7R)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbox (5S,7R)-5-(3-methoxyphenyl)-7-(t…

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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) 3.16 8.22 -9.56 1 6 0 65 369.343 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R,7R)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbox (5R,7R)-5-(3-methoxyphenyl)-7-(t…

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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) 3.16 7.5 -10.02 1 6 0 65 369.343 6 ↓

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