UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4095934
4095934

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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Popular Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-imidazol-2-yl]amino]-2-imino-3-methyl-imidazol-4-one 5-[[4-(1,3-benzodioxol-5-ylmethy…

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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) 0.28 10.14 -21.58 2 9 0 110 340.343 3 ↓
Mid Mid (pH 6-8) -3.20 10.63 -40.55 3 9 1 109 341.351 4 ↓

Analogs

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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

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Popular Name: (2R,3R,4R)-2-amino-4-(4-pyridyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-3-carbonitrile (2R,3R,4R)-2-amino-4-(4-pyridyl)…

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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 5.06 -15.88 3 6 0 93 290.33 1 ↓
Mid Mid (pH 6-8) 1.37 5.34 -78.7 4 6 1 94 291.338 1 ↓
Mid Mid (pH 6-8) 1.37 5.53 -35.94 4 6 1 94 291.338 1 ↓

Analogs

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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Popular Name: N-(1-methyl-4-oxo-5H-imidazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide N-(1-methyl-4-oxo-5H-imidazol-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.28 2.13 -39.34 2 7 -1 106 233.207 1 ↓

Analogs

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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

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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

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Popular Name: 4-[(3-fluorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole 4-[(3-fluorophenyl)methyl]-1,2-d…

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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 11.78 -29.37 1 3 1 24 268.315 2 ↓

Analogs

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Popular Name: 10-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b]benzimidazole 10-[(2-fluorophenyl)methyl]-3,4-…

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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) 3.76 12.62 -23.83 1 3 1 24 282.342 2 ↓

Analogs

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Popular Name: 10-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole 10-[(3-fluorophenyl)methyl]-3,4-…

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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) 3.79 12.46 -32.03 1 3 1 24 282.342 2 ↓

Analogs

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Popular Name: benzyl-methyl-(5-methyl-2-furyl)-phenyl-BLAH benzyl-methyl-(5-methyl-2-furyl)…

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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) 6.10 20.26 -17.43 0 6 0 53 471.564 4 ↓
Mid Mid (pH 6-8) 6.10 20.65 -28.89 1 6 1 55 472.572 4 ↓

Analogs

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Popular Name: benzyl-methyl-(5-methyl-2-furyl)-phenyl-BLAH benzyl-methyl-(5-methyl-2-furyl)…

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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) 6.10 20.27 -17.73 0 6 0 53 471.564 4 ↓
Mid Mid (pH 6-8) 6.10 20.66 -28.98 1 6 1 55 472.572 4 ↓

Analogs

12402883
12402883

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Popular Name: (1R)-1-(4-bromophenyl)-2-(1,2-dihydroimidazo[2,1-b]benzimidazol-4-yl)ethanol (1R)-1-(4-bromophenyl)-2-(1,2-di…

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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) 3.40 10.07 -32.25 2 4 1 44 359.247 3 ↓

Analogs

12402882
12402882

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Popular Name: (1S)-1-(4-bromophenyl)-2-(1,2-dihydroimidazo[2,1-b]benzimidazol-4-yl)ethanol (1S)-1-(4-bromophenyl)-2-(1,2-di…

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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) 3.40 9.85 -32.86 2 4 1 44 359.247 3 ↓

Analogs

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Popular Name: 9-(2-chloroethyl)-2,9-dihydro-3H-imidazo[1,2-a]benzimidazole 9-(2-chloroethyl)-2,9-dihydro-3H…

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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) 2.39 -0.57 -27.63 1 3 1 24 222.699 2 ↓

Analogs

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Popular Name: 10-(2-chloroethyl)-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole 10-(2-chloroethyl)-2,3,4,10-tetr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.66 10.01 -25.85 1 3 1 24 236.726 2 ↓

Analogs

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Popular Name: 2-(3,4-dihydropyrimido[1,2-a]benzimidazol-10(2H)-yl)ethanol 2-(3,4-dihydropyrimido[1,2-a]ben…

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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) 1.42 5.99 -23.47 2 4 1 44 218.28 2 ↓

Analogs

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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

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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 ↓

Parameters Provided:

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

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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 = 12 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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