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    Analogs

    4095934
    4095934

    Draw Identity 99% 90% 80% 70%

    Popular Name: Albendazole oxide Albendazole oxide

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.33 3.06 -23.33 2 6 0 87 281.337 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3,4-dichlorophenyl)-N-[1-methyl-5-[methyl-[2-(4-methyl-3-sulfamoyl-anilino)pyrimidin-4-yl]amino]b 2-(3,4-dichlorophenyl)-N-[1-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) 5.62 14.01 -43.72 5 11 1 153 626.55 7 ↓
    Hi High (pH 8-9.5) 5.62 13.87 -23.29 4 11 0 151 625.542 7 ↓
    Lo Low (pH 4.5-6) 5.44 15.12 -87.48 6 11 2 151 627.558 8 ↓

    Analogs

    36594166
    36594166

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-N-[(1S)-2-(1H-benzimidazol-2-ylamino)-1-methyl-2-oxo-ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carbox (3S)-N-[(1S)-2-(1H-benzimidazol-…

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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) 1.63 7.67 -19.06 3 8 0 110 391.431 4 ↓
    Mid Mid (pH 6-8) 1.60 7.41 -49.29 2 8 1 106 390.423 4 ↓

    Analogs

    36594166
    36594166

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-N-[(1S)-2-(1H-benzimidazol-2-ylamino)-1-methyl-2-oxo-ethyl]-5-oxo-1-phenyl-pyrrolidine-3-carbox (3R)-N-[(1S)-2-(1H-benzimidazol-…

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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) 1.63 7.61 -15.47 3 8 0 110 391.431 4 ↓
    Mid Mid (pH 6-8) 1.60 7.46 -48.11 2 8 1 106 390.423 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide (3S)-N-(1H-benzimidazol-2-yl)-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) 2.37 8.26 -12.96 2 7 0 91 364.405 4 ↓
    Mid Mid (pH 6-8) 2.34 8 -42.08 1 7 1 86 363.397 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide (3R)-N-(1H-benzimidazol-2-yl)-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) 2.37 8.33 -12.43 2 7 0 91 364.405 4 ↓
    Mid Mid (pH 6-8) 2.34 8.19 -44.85 1 7 1 86 363.397 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: isopropyl isopropyl

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.92 10.19 -18.51 2 9 0 131 409.398 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1H-benzimidazol-2-yl)-5-[(2R)-1-propanoylpyrrolidin-2-yl]thiophene-2-carboxamide N-(1H-benzimidazol-2-yl)-5-[(2R)…

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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 9.41 -18.37 2 6 0 81 368.462 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1H-benzimidazol-2-yl)-5-[(2S)-1-propanoylpyrrolidin-2-yl]thiophene-2-carboxamide N-(1H-benzimidazol-2-yl)-5-[(2S)…

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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 9.42 -18.4 2 6 0 81 368.462 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 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) 0.35 9.41 -11.04 1 5 0 60 233.271 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine 1-[(2-chlorophenyl)methyl]-3-(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) 4.01 14.97 -7.39 1 4 0 43 377.875 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(4-bromophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-imine 1-[(4-bromophenyl)methyl]-3-[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) 4.25 14.68 -9.31 1 5 0 52 452.352 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[2-(2-methylphenoxy)ethyl]-3-pentyl-benzimidazol-2-imine 1-[2-(2-methylphenoxy)ethyl]-3-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) 4.13 14.78 -7.12 1 4 0 43 337.467 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1H-benzimidazol-2-yl)-3-(2,5-difluorophenyl)propanamide N-(1H-benzimidazol-2-yl)-3-(2,5-…

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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) 3.68 8.89 -9.33 2 4 0 61 301.296 3 ↓

    Analogs

    8992779
    8992779
    8992780
    8992780
    9059864
    9059864

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-N-(1H-benzimidazol-2-yl)-1-(p-tolylsulfonyl)piperidine-3-carboxamide (3R)-N-(1H-benzimidazol-2-yl)-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) 3.27 7.85 -14.79 2 7 0 98 398.488 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1H-benzimidazol-2-yl)-2-ethylsulfanyl-pyridine-4-carboxamide N-(1H-benzimidazol-2-yl)-2-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) 2.84 7.67 -10.96 2 5 0 74 298.371 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1H-benzimidazol-2-yl)-2-(2-methoxyethoxy)benzamide N-(1H-benzimidazol-2-yl)-2-(2-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) 3.27 8.06 -15.86 2 6 0 79 311.341 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-acetamido-N-(1H-benzimidazol-2-yl)-2-fluoro-benzamide 5-acetamido-N-(1H-benzimidazol-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) 2.13 6.44 -20.41 3 6 0 90 312.304 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1H-benzimidazol-2-yl)-3-(2-methoxyethoxy)benzamide N-(1H-benzimidazol-2-yl)-3-(2-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) 2.74 6.97 -14.88 2 6 0 79 311.341 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1H-benzimidazol-2-yl)-2-(2-methoxyethoxy)pyridine-3-carboxamide N-(1H-benzimidazol-2-yl)-2-(2-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) 1.82 5.46 -16.11 2 7 0 92 312.329 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.09 6.53 -11.86 3 6 0 90 379.441 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-2-methyl-1-methylsulfonyl-indoline-5-carboxamide (2S)-N-[1-(2-diethylaminoethyl)b…

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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) 3.44 11.93 -50.39 2 8 1 92 470.619 7 ↓
    Hi High (pH 8-9.5) 3.44 9.77 -16.82 1 8 0 91 469.611 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-2-methyl-1-methylsulfonyl-indoline-5-carboxamide (2R)-N-[1-(2-diethylaminoethyl)b…

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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) 3.44 12.17 -50.23 2 8 1 92 470.619 7 ↓
    Hi High (pH 8-9.5) 3.44 10.02 -16.92 1 8 0 91 469.611 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1H-benzimidazol-2-yl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide N-(1H-benzimidazol-2-yl)-1-[(2-c…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.42 9.39 -13.18 2 6 0 79 351.797 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(1H-benzimidazol-2-ylamino)-4-oxo-butanoic 4-(1H-benzimidazol-2-ylamino)-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) 0.89 5.7 -52.66 2 6 -1 101 232.219 3 ↓
    Lo Low (pH 4.5-6) 0.89 3.72 -10.47 3 6 0 98 233.227 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-(2-diethylaminoethyl)-1H-benzimidazol-3-ium-2-yl]-4-methyl-benzamide N-[3-(2-diethylaminoethyl)-1H-be…

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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) 4.12 13.33 -45.75 2 5 1 55 351.474 6 ↓
    Hi High (pH 8-9.5) 4.12 11.21 -10.25 1 5 0 53 350.466 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-N-[3-[2-(1-piperidyl)ethyl]-1H-benzimidazol-3-ium-2-yl]benzamide 4-methyl-N-[3-[2-(1-piperidyl)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) 4.27 13.85 -47.2 2 5 1 55 363.485 4 ↓
    Hi High (pH 8-9.5) 4.27 11.63 -10.53 1 5 0 53 362.477 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: BRD-K13794505-001-01-6 BRD-K13794505-001-01-6

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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 12.17 -52.6 2 7 1 72 367.477 5 ↓
    Hi High (pH 8-9.5) 2.89 9.96 -10.35 1 7 0 71 366.469 5 ↓

    Analogs

    13099053
    13099053

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-((1H-benzimidazol-2-ylamino)carbonyl)cyclohexanecarboxylic acid; nsc95666 2-((1H-benzimidazol-2-ylamino)ca…

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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 8.75 -62.03 2 6 -1 101 286.311 2 ↓
    Lo Low (pH 4.5-6) 2.50 6.73 -12.85 3 6 0 98 287.319 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1H-benzimidazol-2-yl)-4-(dimethylaminomethyl)benzamide N-(1H-benzimidazol-2-yl)-4-(dime…

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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 9.37 -44.36 3 5 1 65 295.366 3 ↓
    Hi High (pH 8-9.5) 2.62 6.88 -10.12 2 5 0 64 294.358 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(1H-benzimidazol-2-yl)-3-[(2S)-2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]urea 1-(1H-benzimidazol-2-yl)-3-[(2S)…

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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) 4.09 10.49 -35.05 4 6 1 77 384.529 4 ↓
    Hi High (pH 8-9.5) 4.09 8.47 -9.26 3 6 0 76 383.521 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(1H-benzimidazol-2-yl)-3-[(2R)-2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]urea 1-(1H-benzimidazol-2-yl)-3-[(2R)…

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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) 4.09 10.07 -35.66 4 6 1 77 384.529 4 ↓
    Hi High (pH 8-9.5) 4.09 8.43 -9.28 3 6 0 76 383.521 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(1H-benzimidazol-2-yl)-N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]propanamide 3-(1H-benzimidazol-2-yl)-N-[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) 3.63 12.63 -45.56 3 7 1 83 405.526 8 ↓
    Hi High (pH 8-9.5) 3.63 10.54 -12.64 2 7 0 82 404.518 8 ↓
    Lo Low (pH 4.5-6) 3.63 13.12 -80.21 4 7 2 85 406.534 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-2-(1-ethyl-3-methyl-pyrazol-4-yl)quinoline-4-carboxamid N-[1-(2-diethylaminoethyl)benzim…

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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) 4.77 16.24 -61.04 2 8 1 85 496.639 8 ↓
    Hi High (pH 8-9.5) 4.77 13.03 -15.22 1 8 0 84 495.631 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide N-[1-(2-diethylaminoethyl)benzim…

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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) 4.55 15.25 -51.18 2 8 1 85 482.612 8 ↓
    Hi High (pH 8-9.5) 4.55 11.8 -14.35 1 8 0 84 481.604 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1H-benzimidazol-2-yl)-2-(4-nitrophenyl)sulfanyl-acetamide N-(1H-benzimidazol-2-yl)-2-(4-ni…

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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) 3.12 9.17 -11.93 2 7 0 107 328.353 4 ↓

    Analogs

    4005113
    4005113

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(1H-benzimidazol-2-yl)propanamide (2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.63 7.52 -13.53 2 7 0 98 338.367 2 ↓

    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) 3.13 8.67 -11.95 2 7 0 107 296.286 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide N-[1-(2-diethylaminoethyl)benzim…

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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 6.09 -66.83 2 8 0 103 354.414 6 ↓
    Hi High (pH 8-9.5) 2.11 3.96 -53.55 1 8 -1 102 353.406 6 ↓
    Lo Low (pH 4.5-6) 1.65 7.94 -45.8 3 8 1 100 355.422 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propanamide N-[1-(2-diethylaminoethyl)benzim…

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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) 4.22 14.6 -46.05 2 7 1 72 439.628 10 ↓
    Hi High (pH 8-9.5) 4.22 13.03 -11.35 1 7 0 71 438.62 10 ↓
    Lo Low (pH 4.5-6) 4.04 15.72 -105.38 3 7 2 70 440.636 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S)-N-(1-ethylbenzimidazol-2-yl)-5-phenyl-4,5-dihydroisoxazole-3-carboxamide (5S)-N-(1-ethylbenzimidazol-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) 3.16 10.12 -11.81 1 6 0 72 334.379 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R)-N-(1-ethylbenzimidazol-2-yl)-5-phenyl-4,5-dihydroisoxazole-3-carboxamide (5R)-N-(1-ethylbenzimidazol-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) 3.16 10.1 -11.8 1 6 0 72 334.379 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]-2-(4-meth N-[6-[4-[[2-fluoro-5-(trifluorom…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    TIE2-1-E Tyrosine-protein Kinase TIE-2 (cluster #1 Of 2), Eukaryotic Eukaryotes 6 0.27 Binding ≤ 10μM
    VGFR2-1-E Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 2 0.29 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    TIE2_HUMAN Q02763 Tyrosine-protein Kinase TIE-2, Human 4.9 0.28 Binding ≤ 1μM
    VGFR2_HUMAN P35968 Vascular Endothelial Growth Factor Receptor 2, Human 1.5 0.29 Binding ≤ 1μM
    TIE2_HUMAN Q02763 Tyrosine-protein Kinase TIE-2, Human 4.9 0.28 Binding ≤ 10μM
    VGFR2_HUMAN P35968 Vascular Endothelial Growth Factor Receptor 2, Human 1.5 0.29 Binding ≤ 10μM

    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) 4.95 10.39 -43.98 5 10 1 119 586.57 7 ↓
    Hi High (pH 8-9.5) 4.95 8.01 -14.52 4 10 0 118 585.562 7 ↓
    Hi High (pH 8-9.5) 4.95 8.02 -16.28 4 10 0 118 585.562 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-tert-butylbenzimidazol-2-yl)-3-(5-methyl-1,3-dioxo-isoindolin-2-yl)propanamide N-(1-tert-butylbenzimidazol-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) 4.27 12.58 -15.12 1 7 0 89 404.47 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N-(1H-benzimidazol-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide (2R)-N-(1H-benzimidazol-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) 1.91 4.23 -16.21 3 9 0 126 416.459 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N-(1H-benzimidazol-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide (2S)-N-(1H-benzimidazol-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) 1.91 4.3 -15.93 3 9 0 126 416.459 4 ↓

    Analogs

    37107105
    37107105

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R)-N-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methyl-cyclopropanecarboxamide (1R)-N-(1H-benzimidazol-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) 2.93 7.61 -8.27 2 4 0 61 284.146 1 ↓

    Analogs

    37107103
    37107103
    5942339
    5942339

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S)-N-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methyl-cyclopropanecarboxamide (1S)-N-(1H-benzimidazol-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) 2.93 7.61 -8.31 2 4 0 61 284.146 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-propylbenzimidazol-2-yl)-2-thioxo-1H-pyridine-3-carboxamide N-(1-propylbenzimidazol-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) 2.48 10.59 -24.12 2 5 0 66 312.398 3 ↓
    Mid Mid (pH 6-8) 3.21 9.47 -64.89 1 5 -1 63 311.39 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-3,6-dimethyl-isoxazolo[5,4-b]pyridine-4-carboxamide N-[1-(2-diethylaminoethyl)benzim…

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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) 3.15 10.03 -55.24 2 8 1 94 407.498 6 ↓
    Hi High (pH 8-9.5) 3.15 7.91 -12.44 1 8 0 92 406.49 6 ↓

    Parameters Provided:

    ring.id = 11
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 = 11 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=11&filter.purchasability=annotated

    Embed Link to Results

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