UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4626674
4626674
9084028
9084028

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Popular Name: Nexium hydrate Nexium hydrate

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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 -3.53 -12.22 1 5 0 67 315.398 4 ↓

Analogs

4626699
4626699

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Popular Name: H 83/69 H 83/69

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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) 1.18 -4.5 -15.96 1 4 0 58 257.318 3 ↓

Analogs

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Popular Name: 1-(1-benzylbenzimidazol-2-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one 1-(1-benzylbenzimidazol-2-yl)-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) 4.94 16.06 -10.47 0 5 0 53 384.483 3 ↓

Analogs

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Popular Name: 5-Bromo-2-methyl-1H-benzo[d]imidazole 5-Bromo-2-methyl-1H-benzo[d]imid…

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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) 2.30 4.6 -8.09 1 2 0 29 211.062 0 ↓

Analogs

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Popular Name: 6-Methyl-2-(1,2,2,2-tetrafluoroethyl)-1H-benzimidazole 6-Methyl-2-(1,2,2,2-tetrafluoroe…

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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) 3.14 5.82 -9.89 1 2 0 29 232.18 2 ↓
Lo Low (pH 4.5-6) 3.14 6.05 -29.05 2 2 1 30 233.188 2 ↓

Analogs

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Popular Name: 6-Methyl-2-(1,2,2,2-tetrafluoroethyl)-1H-benzimidazole 6-Methyl-2-(1,2,2,2-tetrafluoroe…

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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) 3.14 5.89 -6.99 1 2 0 29 232.18 2 ↓
Lo Low (pH 4.5-6) 3.14 6.05 -29.66 2 2 1 30 233.188 2 ↓

Analogs

390941
390941

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Popular Name: 2,2,2-trifluoro-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone 2,2,2-trifluoro-1-[2-(phenoxymet…

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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) 4.06 8.54 -8.95 0 4 0 44 320.27 4 ↓

Analogs

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Popular Name: 1-allyl-3-(1H-benzoimidazol-2-yl)-2-hydroxy-quinolin-4-one 1-allyl-3-(1H-benzoimidazol-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) 3.02 7.99 -55.66 1 5 -1 74 316.34 3 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(5,6-dimethylbenzimidazol-1-yl)phenyl]ethanamine (1R)-1-[3-chloro-4-(5,6-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) 2.25 9.68 -56.32 3 3 1 45 300.813 2 ↓
Mid Mid (pH 6-8) 2.25 9.38 -8.55 2 3 0 44 299.805 2 ↓
Lo Low (pH 4.5-6) 2.25 10.16 -91.3 4 3 2 47 301.821 2 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(5,6-dimethylbenzimidazol-1-yl)phenyl]ethanamine (1S)-1-[3-chloro-4-(5,6-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) 2.25 9.68 -56.48 3 3 1 45 300.813 2 ↓
Mid Mid (pH 6-8) 2.25 9.35 -8.67 2 3 0 44 299.805 2 ↓
Lo Low (pH 4.5-6) 2.25 10.16 -90.27 4 3 2 47 301.821 2 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(5,6-dimethylbenzimidazol-1-yl)phenyl]ethanamine (1R)-1-[3-bromo-4-(5,6-dimethylb…

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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 9.77 -55.95 3 3 1 45 345.264 2 ↓
Mid Mid (pH 6-8) 2.39 9.47 -8.25 2 3 0 44 344.256 2 ↓
Lo Low (pH 4.5-6) 2.39 10.24 -91.28 4 3 2 47 346.272 2 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(5,6-dimethylbenzimidazol-1-yl)phenyl]ethanamine (1S)-1-[3-bromo-4-(5,6-dimethylb…

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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 9.77 -56.15 3 3 1 45 345.264 2 ↓
Mid Mid (pH 6-8) 2.39 9.43 -8.35 2 3 0 44 344.256 2 ↓
Lo Low (pH 4.5-6) 2.39 10.24 -90.25 4 3 2 47 346.272 2 ↓

Analogs

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Popular Name: (1S)-1-[4-(benzimidazol-1-yl)-3-chloro-phenyl]-N-methyl-ethanamine (1S)-1-[4-(benzimidazol-1-yl)-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) 3.71 10.26 -52.27 2 3 1 34 286.786 3 ↓
Hi High (pH 8-9.5) 3.71 9.08 -7.23 1 3 0 30 285.778 3 ↓
Lo Low (pH 4.5-6) 3.71 10.73 -89 3 3 2 36 287.794 3 ↓

Analogs

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Popular Name: (1R)-1-[4-(benzimidazol-1-yl)-3-chloro-phenyl]-N-methyl-ethanamine (1R)-1-[4-(benzimidazol-1-yl)-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) 3.71 10.25 -52.12 2 3 1 34 286.786 3 ↓
Hi High (pH 8-9.5) 3.71 9.08 -7.89 1 3 0 30 285.778 3 ↓
Lo Low (pH 4.5-6) 3.71 10.73 -87.81 3 3 2 36 287.794 3 ↓

Analogs

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Popular Name: (1S)-1-[4-(benzimidazol-1-yl)-3-chloro-phenyl]-N-ethyl-ethanamine (1S)-1-[4-(benzimidazol-1-yl)-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) 4.08 11.11 -50.9 2 3 1 34 300.813 4 ↓
Hi High (pH 8-9.5) 4.08 10.01 -7.64 1 3 0 30 299.805 4 ↓
Lo Low (pH 4.5-6) 4.08 11.58 -88.06 3 3 2 36 301.821 4 ↓

Analogs

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Popular Name: (1R)-1-[4-(benzimidazol-1-yl)-3-chloro-phenyl]-N-ethyl-ethanamine (1R)-1-[4-(benzimidazol-1-yl)-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) 4.08 11.1 -50.75 2 3 1 34 300.813 4 ↓
Hi High (pH 8-9.5) 4.08 9.99 -6.92 1 3 0 30 299.805 4 ↓
Lo Low (pH 4.5-6) 4.08 11.58 -87 3 3 2 36 301.821 4 ↓

Analogs

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Popular Name: (1S)-1-[4-(benzimidazol-1-yl)-3-chloro-phenyl]ethanamine (1S)-1-[4-(benzimidazol-1-yl)-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) 1.45 8.49 -58.12 3 3 1 45 272.759 2 ↓
Mid Mid (pH 6-8) 1.45 8.16 -8.22 2 3 0 44 271.751 2 ↓
Lo Low (pH 4.5-6) 1.45 8.97 -94.3 4 3 2 47 273.767 2 ↓

Analogs

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Popular Name: (1R)-1-[4-(benzimidazol-1-yl)-3-chloro-phenyl]ethanamine (1R)-1-[4-(benzimidazol-1-yl)-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) 1.45 8.48 -57.96 3 3 1 45 272.759 2 ↓
Mid Mid (pH 6-8) 1.45 8.15 -8.04 2 3 0 44 271.751 2 ↓
Lo Low (pH 4.5-6) 1.45 8.96 -93.07 4 3 2 47 273.767 2 ↓

Analogs

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Popular Name: (1S)-1-[4-(benzimidazol-1-yl)-3-bromo-phenyl]-N-methyl-ethanamine (1S)-1-[4-(benzimidazol-1-yl)-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) 3.84 10.34 -52.1 2 3 1 34 331.237 3 ↓
Hi High (pH 8-9.5) 3.84 9.15 -7 1 3 0 30 330.229 3 ↓
Lo Low (pH 4.5-6) 3.84 10.8 -89.09 3 3 2 36 332.245 3 ↓

Analogs

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Popular Name: (1R)-1-[4-(benzimidazol-1-yl)-3-bromo-phenyl]-N-methyl-ethanamine (1R)-1-[4-(benzimidazol-1-yl)-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) 3.84 10.32 -51.92 2 3 1 34 331.237 3 ↓
Hi High (pH 8-9.5) 3.84 9.17 -7.62 1 3 0 30 330.229 3 ↓
Lo Low (pH 4.5-6) 3.84 10.8 -87.91 3 3 2 36 332.245 3 ↓

Analogs

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Popular Name: (1S)-1-[4-(benzimidazol-1-yl)-3-bromo-phenyl]-N-ethyl-ethanamine (1S)-1-[4-(benzimidazol-1-yl)-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) 4.21 11.18 -50.8 2 3 1 34 345.264 4 ↓
Hi High (pH 8-9.5) 4.21 10.09 -7.39 1 3 0 30 344.256 4 ↓
Lo Low (pH 4.5-6) 4.21 11.67 -88.19 3 3 2 36 346.272 4 ↓

Analogs

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Popular Name: (1R)-1-[4-(benzimidazol-1-yl)-3-bromo-phenyl]-N-ethyl-ethanamine (1R)-1-[4-(benzimidazol-1-yl)-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) 4.21 11.18 -50.58 2 3 1 34 345.264 4 ↓
Hi High (pH 8-9.5) 4.21 10.07 -6.72 1 3 0 30 344.256 4 ↓
Lo Low (pH 4.5-6) 4.21 11.66 -87.12 3 3 2 36 346.272 4 ↓

Analogs

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Popular Name: (1S)-1-[4-(benzimidazol-1-yl)-3-bromo-phenyl]ethanamine (1S)-1-[4-(benzimidazol-1-yl)-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) 1.58 8.57 -57.97 3 3 1 45 317.21 2 ↓
Mid Mid (pH 6-8) 1.58 8.24 -7.94 2 3 0 44 316.202 2 ↓
Lo Low (pH 4.5-6) 1.58 9.04 -94.45 4 3 2 47 318.218 2 ↓

Analogs

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Popular Name: (1R)-1-[4-(benzimidazol-1-yl)-3-bromo-phenyl]ethanamine (1R)-1-[4-(benzimidazol-1-yl)-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) 1.58 8.55 -57.78 3 3 1 45 317.21 2 ↓
Mid Mid (pH 6-8) 1.58 8.23 -7.76 2 3 0 44 316.202 2 ↓
Lo Low (pH 4.5-6) 1.58 9.03 -93.2 4 3 2 47 318.218 2 ↓

Analogs

12582046
12582046
15617578
15617578

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Popular Name: N-[(1R)-1-methylhexyl]-3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanamide N-[(1R)-1-methylhexyl]-3-(1-prop…

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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 10.31 -17.3 1 7 0 84 462.66 12 ↓
Lo Low (pH 4.5-6) 4.51 10.6 -39.72 2 7 1 86 463.668 12 ↓

Analogs

12582046
12582046
15617578
15617578

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Popular Name: N-[(1S)-1-methylhexyl]-3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanamide N-[(1S)-1-methylhexyl]-3-(1-prop…

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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 10.31 -17.36 1 7 0 84 462.66 12 ↓
Lo Low (pH 4.5-6) 4.51 10.6 -39.75 2 7 1 86 463.668 12 ↓

Analogs

39981396
39981396

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Popular Name: 2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-benzoimidazole 2-methyl-1-[3-(trifluoromethyl)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) 3.36 -0.44 -11.29 0 4 0 51 340.326 3 ↓

Analogs

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Popular Name: N-[2-(diisopropylamino)ethyl]-3-[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]propanamide N-[2-(diisopropylamino)ethyl]-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) 2.20 7.59 -48.74 2 8 1 89 452.645 11 ↓
Lo Low (pH 4.5-6) 2.20 7.89 -88.21 3 8 2 90 453.653 11 ↓

Analogs

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Popular Name: 2-benzylsulfanyl-1-(p-tolylsulfonyl)benzoimidazole 2-benzylsulfanyl-1-(p-tolylsulfo…

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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) 5.37 -2.51 -12.16 0 4 0 51 394.521 5 ↓

Analogs

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Popular Name: N-[2-(1H-benzoimidazol-2-yl)phenyl]-2,6-dimethoxy-benzamide N-[2-(1H-benzoimidazol-2-yl)phen…

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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) 4.41 8.44 -19.34 2 6 0 76 373.412 5 ↓
Lo Low (pH 4.5-6) 4.41 8.56 -31.67 3 6 1 77 374.42 5 ↓

Analogs

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Popular Name: 2-[(5-bromo-3H-benzoimidazol-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)-acetamide 2-[(5-bromo-3H-benzoimidazol-2-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) 4.76 8.75 -9.73 2 4 0 58 390.306 4 ↓

Analogs

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Popular Name: benzoimidazol-1-yl-(2-cyanoethyl)-methyl-BLAHcarbonitrile benzoimidazol-1-yl-(2-cyanoethyl…

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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) 4.08 4.77 -19.87 0 6 0 82 376.423 3 ↓

Analogs

4136213
4136213

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Popular Name: benzoimidazol-1-yl-methyl-pentyl-BLAHcarbonitrile benzoimidazol-1-yl-methyl-pentyl…

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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) 6.57 3.93 -13.19 0 5 0 58 393.494 5 ↓

Analogs

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Popular Name: [(2R,3R,4S,5R)-5-(2-bromo-5,6-dichloro-benzimidazol-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2R,3R,4S,5R)-5-(2-bromo-5,6-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) 4.57 5.73 -16.5 4 8 0 120 579.662 7 ↓
Mid Mid (pH 6-8) 4.57 6.06 -57.01 5 8 1 121 580.67 7 ↓

Analogs

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Popular Name: [(2S,3R,4S,5R)-5-(2-bromo-5,6-dichloro-benzimidazol-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2S,3R,4S,5R)-5-(2-bromo-5,6-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) 4.57 4.95 -15.05 4 8 0 120 579.662 7 ↓
Mid Mid (pH 6-8) 4.57 5.28 -56.18 5 8 1 121 580.67 7 ↓

Analogs

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Popular Name: N'-[4-(4-nitrophenyl)thiazol-2-yl]-1H-benzimidazole-5-carbohydrazide N'-[4-(4-nitrophenyl)thiazol-2-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) 2.74 8.52 -17.67 3 9 0 129 380.389 5 ↓
Lo Low (pH 4.5-6) 2.74 9 -52.58 4 9 1 130 381.397 5 ↓

Analogs

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Popular Name: (1S)-1-[4-(1H-benzimidazol-2-ylsulfanyl)-3-chloro-phenyl]-N-methyl-ethanamine (1S)-1-[4-(1H-benzimidazol-2-yls…

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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) 4.61 8.5 -47.47 3 3 1 45 318.853 4 ↓
Hi High (pH 8-9.5) 4.61 7.32 -7.5 2 3 0 41 317.845 4 ↓

Analogs

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Popular Name: (1R)-1-[4-(1H-benzimidazol-2-ylsulfanyl)-3-chloro-phenyl]-N-methyl-ethanamine (1R)-1-[4-(1H-benzimidazol-2-yls…

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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) 4.61 8.49 -48.46 3 3 1 45 318.853 4 ↓
Hi High (pH 8-9.5) 4.61 7.32 -8.25 2 3 0 41 317.845 4 ↓

Analogs

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Popular Name: (1S)-1-[4-(1H-benzimidazol-2-ylsulfanyl)-3-chloro-phenyl]ethanamine (1S)-1-[4-(1H-benzimidazol-2-yls…

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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) 2.35 6.73 -53.15 4 3 1 56 304.826 3 ↓
Hi High (pH 8-9.5) 2.35 6.41 -9.11 3 3 0 55 303.818 3 ↓

Analogs

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Popular Name: (1R)-1-[4-(1H-benzimidazol-2-ylsulfanyl)-3-chloro-phenyl]ethanamine (1R)-1-[4-(1H-benzimidazol-2-yls…

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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) 2.35 6.72 -54.3 4 3 1 56 304.826 3 ↓
Hi High (pH 8-9.5) 2.35 6.4 -8.42 3 3 0 55 303.818 3 ↓

Analogs

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Popular Name: (1S)-1-[4-(1H-benzimidazol-2-ylsulfanyl)-3-bromo-phenyl]ethanamine (1S)-1-[4-(1H-benzimidazol-2-yls…

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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 6.81 -53.1 4 3 1 56 349.277 3 ↓
Hi High (pH 8-9.5) 2.48 6.47 -8.08 3 3 0 55 348.269 3 ↓

Analogs

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Popular Name: (1R)-1-[4-(1H-benzimidazol-2-ylsulfanyl)-3-bromo-phenyl]ethanamine (1R)-1-[4-(1H-benzimidazol-2-yls…

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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 6.8 -54.2 4 3 1 56 349.277 3 ↓
Hi High (pH 8-9.5) 2.48 6.47 -8.47 3 3 0 55 348.269 3 ↓

Analogs

36889199
36889199

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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) 2.09 4.02 -14.06 2 5 0 67 247.298 5 ↓

Analogs

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Popular Name: 1-[4-(1H-benzoimidazol-2-yl)-1-piperidyl]-2-ethyl-butan-1-one 1-[4-(1H-benzoimidazol-2-yl)-1-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) 3.39 8.28 -13.39 1 4 0 49 299.418 4 ↓

Analogs

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Popular Name: N-[3-(1H-benzoimidazol-2-yl)-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]butanamide N-[3-(1H-benzoimidazol-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) 5.55 13.07 -12.38 2 5 0 63 404.489 6 ↓

Analogs

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Popular Name: N-[1-ethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzoimidazol-5-yl]-2-(2-methylphenoxy)-acetami N-[1-ethyl-2-[(4-methylpyrimidin…

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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) 4.58 11.91 -19.46 1 7 0 82 447.564 8 ↓

Analogs

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Popular Name: 1-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzoimidazol-5-yl]-3-phenyl-urea 1-[1-methyl-2-[(4-methylpyrimidi…

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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) 4.15 9.07 -21.02 2 7 0 85 404.499 5 ↓
Lo Low (pH 4.5-6) 4.15 9.48 -41.03 3 7 1 86 405.507 5 ↓

Analogs

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Popular Name: N-[1-ethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzoimidazol-5-yl]furan-2-carboxamide N-[1-ethyl-2-[(4-methylpyrimidin…

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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 8.71 -16.13 1 7 0 86 393.472 6 ↓

Analogs

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Popular Name: 2-(2-chlorophenoxy)-N-(1-methyl-2-{[(4-methyl-2-pyrimidinyl)sulfanyl]methyl}-1H-benzimidazol-5-yl)acetamide 2-(2-chlorophenoxy)-N-(1-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) 4.43 10.88 -29.32 1 7 0 82 453.955 7 ↓

Analogs

8992783
8992783

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Popular Name: N-(1-ethyl-2-{[(4-methyl-2-pyrimidinyl)sulfanyl]methyl}-1H-benzimidazol-5-yl)-3,4-dimethoxybenzamide N-(1-ethyl-2-{[(4-methyl-2-pyrim…

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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) 3.86 9.94 -19.31 1 8 0 91 463.563 8 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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