UCSF
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Analogs

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Popular Name: 4-(1-cyclopropylbenzimidazol-2-yl)benzoic 4-(1-cyclopropylbenzimidazol-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) 3.89 10.32 -51.34 0 4 -1 58 277.303 3 ↓
Mid Mid (pH 6-8) 3.89 10.81 -51.65 1 4 0 59 278.311 3 ↓

Analogs

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Popular Name: 2-(1-cyclopropylbenzimidazol-2-yl)-4-iodo-aniline 2-(1-cyclopropylbenzimidazol-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) 4.47 9.13 -7.17 2 3 0 44 375.213 2 ↓
Lo Low (pH 4.5-6) 4.47 9.58 -23.05 3 3 1 45 376.221 2 ↓

Analogs

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Popular Name: 2-(1-cyclopropyl-5-fluoro-benzimidazol-2-yl)-4-iodo-aniline 2-(1-cyclopropyl-5-fluoro-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) 4.61 9.2 -6.76 2 3 0 44 393.203 2 ↓
Lo Low (pH 4.5-6) 4.61 9.64 -24.95 3 3 1 45 394.211 2 ↓

Analogs

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Popular Name: 2-(1-cyclopropyl-4-fluoro-benzimidazol-2-yl)-4-iodo-aniline 2-(1-cyclopropyl-4-fluoro-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) 4.59 9.19 -9.31 2 3 0 44 393.203 2 ↓
Lo Low (pH 4.5-6) 4.59 9.63 -23.5 3 3 1 45 394.211 2 ↓

Analogs

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Popular Name: 2-(1-cyclopropyl-6-fluoro-benzimidazol-2-yl)-4-iodo-aniline 2-(1-cyclopropyl-6-fluoro-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) 4.61 9.2 -5.75 2 3 0 44 393.203 2 ↓
Lo Low (pH 4.5-6) 4.61 9.65 -25.66 3 3 1 45 394.211 2 ↓

Analogs

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Popular Name: 2-(1-cyclopropylbenzimidazol-2-yl)-4,6-dimethyl-aniline 2-(1-cyclopropylbenzimidazol-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) 4.21 9.51 -8.45 2 3 0 44 277.371 2 ↓
Mid Mid (pH 6-8) 4.21 9.93 -21.01 3 3 1 45 278.379 2 ↓

Analogs

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Popular Name: 2-bromo-6-(1-cyclopropylbenzimidazol-2-yl)aniline 2-bromo-6-(1-cyclopropylbenzimid…

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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) 4.17 8.73 -8.13 2 3 0 44 328.213 2 ↓
Lo Low (pH 4.5-6) 4.17 9.18 -22.97 3 3 1 45 329.221 2 ↓

Analogs

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Popular Name: 2-bromo-6-(1-cyclopropyl-5-methyl-benzimidazol-2-yl)aniline 2-bromo-6-(1-cyclopropyl-5-methy…

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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) 4.60 9.41 -8.15 2 3 0 44 342.24 2 ↓
Lo Low (pH 4.5-6) 4.60 9.85 -22.49 3 3 1 45 343.248 2 ↓

Analogs

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Popular Name: 2-bromo-6-(1-cyclopropyl-5-fluoro-benzimidazol-2-yl)aniline 2-bromo-6-(1-cyclopropyl-5-fluor…

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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) 4.31 8.78 -7.94 2 3 0 44 346.203 2 ↓
Lo Low (pH 4.5-6) 4.31 9.24 -25.16 3 3 1 45 347.211 2 ↓

Analogs

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Popular Name: 2-bromo-6-(1-cyclopropyl-4-fluoro-benzimidazol-2-yl)aniline 2-bromo-6-(1-cyclopropyl-4-fluor…

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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) 4.29 8.78 -10.74 2 3 0 44 346.203 2 ↓
Lo Low (pH 4.5-6) 4.29 9.23 -24.06 3 3 1 45 347.211 2 ↓

Analogs

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Popular Name: 2-bromo-6-(1-cyclopropyl-6-fluoro-benzimidazol-2-yl)aniline 2-bromo-6-(1-cyclopropyl-6-fluor…

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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) 4.31 8.8 -6.58 2 3 0 44 346.203 2 ↓
Lo Low (pH 4.5-6) 4.31 9.23 -25.44 3 3 1 45 347.211 2 ↓

Analogs

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Popular Name: 4-(1-cyclopropylbenzimidazol-2-yl)-2-fluoro-aniline 4-(1-cyclopropylbenzimidazol-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) 3.55 8.15 -23.95 3 3 1 45 268.315 2 ↓
Mid Mid (pH 6-8) 3.55 7.66 -12.03 2 3 0 44 267.307 2 ↓

Analogs

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Popular Name: 4-(1-cyclopropyl-5-methyl-benzimidazol-2-yl)-2-fluoro-aniline 4-(1-cyclopropyl-5-methyl-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) 3.98 8.89 -23.61 3 3 1 45 282.342 2 ↓
Mid Mid (pH 6-8) 3.98 8.41 -12.49 2 3 0 44 281.334 2 ↓

Analogs

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Popular Name: 4-(1-cyclopropyl-5-fluoro-benzimidazol-2-yl)-2-fluoro-aniline 4-(1-cyclopropyl-5-fluoro-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) 3.69 7.73 -8.85 2 3 0 44 285.297 2 ↓
Mid Mid (pH 6-8) 3.69 8.23 -25.9 3 3 1 45 286.305 2 ↓

Analogs

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Popular Name: 4-(5-chloro-1-cyclopropyl-benzimidazol-2-yl)-2-fluoro-aniline 4-(5-chloro-1-cyclopropyl-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) 4.21 8.17 -8.26 2 3 0 44 301.752 2 ↓
Mid Mid (pH 6-8) 4.21 8.67 -25.52 3 3 1 45 302.76 2 ↓

Analogs

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Popular Name: 4-(5-bromo-1-cyclopropyl-benzimidazol-2-yl)-2-fluoro-aniline 4-(5-bromo-1-cyclopropyl-benzimi…

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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) 4.34 8.28 -8.17 2 3 0 44 346.203 2 ↓
Mid Mid (pH 6-8) 4.34 8.76 -25.57 3 3 1 45 347.211 2 ↓

Analogs

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Popular Name: 4-(1-cyclopropyl-4-fluoro-benzimidazol-2-yl)-2-fluoro-aniline 4-(1-cyclopropyl-4-fluoro-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) 3.67 7.78 -15.47 2 3 0 44 285.297 2 ↓
Mid Mid (pH 6-8) 3.67 8.29 -25.24 3 3 1 45 286.305 2 ↓

Analogs

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Popular Name: 4-(7-chloro-1-cyclopropyl-benzimidazol-2-yl)-2-fluoro-aniline 4-(7-chloro-1-cyclopropyl-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) 4.18 7.91 -10.14 2 3 0 44 301.752 2 ↓
Mid Mid (pH 6-8) 4.18 8.34 -25.1 3 3 1 45 302.76 2 ↓

Analogs

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Popular Name: 4-(1-cyclopropyl-6-fluoro-benzimidazol-2-yl)-2-fluoro-aniline 4-(1-cyclopropyl-6-fluoro-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) 3.69 7.74 -7.56 2 3 0 44 285.297 2 ↓
Mid Mid (pH 6-8) 3.69 8.22 -26.71 3 3 1 45 286.305 2 ↓

Analogs

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Popular Name: 1-cyclopropyl-4-fluoro-2-(3,4,5-trimethoxyphenyl)benzimidazole 1-cyclopropyl-4-fluoro-2-(3,4,5-…

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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) 3.73 8.86 -15.43 0 5 0 46 342.37 5 ↓
Lo Low (pH 4.5-6) 3.73 9.39 -30.09 1 5 1 47 343.378 5 ↓

Analogs

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Popular Name: 4-(1-cyclopropyl-4-fluoro-benzimidazol-2-yl)-2-methoxy-phenol 4-(1-cyclopropyl-4-fluoro-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) 3.43 6.9 -15 1 4 0 47 298.317 3 ↓
Lo Low (pH 4.5-6) 3.43 7.39 -27.7 2 4 1 49 299.325 3 ↓

Analogs

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Popular Name: N-[4-(1-cyclopropyl-4-fluoro-benzimidazol-2-yl)phenyl]acetamide N-[4-(1-cyclopropyl-4-fluoro-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) 3.31 8.64 -21.05 1 4 0 47 309.344 3 ↓
Lo Low (pH 4.5-6) 3.31 9.15 -29.51 2 4 1 48 310.352 3 ↓

Analogs

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Popular Name: 4-(1-cyclopropyl-4-fluoro-benzimidazol-2-yl)benzonitrile 4-(1-cyclopropyl-4-fluoro-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) 3.85 10.22 -13.94 0 3 0 42 277.302 2 ↓
Lo Low (pH 4.5-6) 3.85 10.71 -31.93 1 3 1 43 278.31 2 ↓

Analogs

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Popular Name: 5-(1-cyclopropyl-4-fluoro-benzimidazol-2-yl)-2-methoxy-phenol 5-(1-cyclopropyl-4-fluoro-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) 3.43 6.96 -16.42 1 4 0 47 298.317 3 ↓
Lo Low (pH 4.5-6) 3.43 7.45 -27.49 2 4 1 49 299.325 3 ↓

Analogs

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Popular Name: 2-[4-(1-cyclopropyl-4-fluoro-benzimidazol-2-yl)phenoxy]acetonitrile 2-[4-(1-cyclopropyl-4-fluoro-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) 3.94 9.83 -17.38 0 4 0 51 307.328 4 ↓
Lo Low (pH 4.5-6) 3.94 10.32 -33.22 1 4 1 52 308.336 4 ↓

Analogs

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Popular Name: 2-(1-cyclopropylbenzimidazol-2-yl)-4-fluoro-aniline 2-(1-cyclopropylbenzimidazol-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) 3.55 8.1 -8 2 3 0 44 267.307 2 ↓
Lo Low (pH 4.5-6) 3.55 8.54 -23.57 3 3 1 45 268.315 2 ↓

Analogs

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Popular Name: 2-(1-cyclopropylbenzimidazol-2-yl)-4-methyl-aniline 2-(1-cyclopropylbenzimidazol-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) 3.84 8.75 -8.54 2 3 0 44 263.344 2 ↓
Mid Mid (pH 6-8) 3.84 9.17 -21.21 3 3 1 45 264.352 2 ↓

Analogs

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Popular Name: 2-chloro-5-(1-cyclopropylbenzimidazol-2-yl)aniline 2-chloro-5-(1-cyclopropylbenzimi…

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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) 4.07 8.16 -9.11 2 3 0 44 283.762 2 ↓
Lo Low (pH 4.5-6) 4.07 8.65 -24.19 3 3 1 45 284.77 2 ↓

Analogs

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Popular Name: 3-(1-cyclopropylbenzimidazol-2-yl)aniline 3-(1-cyclopropylbenzimidazol-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) 3.03 7.63 -11.06 2 3 0 44 249.317 2 ↓
Mid Mid (pH 6-8) 3.03 8.12 -21.89 3 3 1 45 250.325 2 ↓

Analogs

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Popular Name: 2-(1-cyclopropylbenzimidazol-2-yl)aniline 2-(1-cyclopropylbenzimidazol-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) 3.41 8.08 -8.59 2 3 0 44 249.317 2 ↓
Mid Mid (pH 6-8) 3.41 8.5 -21.33 3 3 1 45 250.325 2 ↓

Analogs

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Popular Name: 5-chloro-2-(1-cyclopropylbenzimidazol-2-yl)aniline 5-chloro-2-(1-cyclopropylbenzimi…

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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) 4.07 8.55 -7.31 2 3 0 44 283.762 2 ↓
Lo Low (pH 4.5-6) 4.07 8.99 -23.61 3 3 1 45 284.77 2 ↓

Analogs

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Popular Name: 2-(1-cyclopropylbenzimidazol-2-yl)-N-methyl-aniline 2-(1-cyclopropylbenzimidazol-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) 3.79 9.03 -8.91 1 3 0 30 263.344 3 ↓
Mid Mid (pH 6-8) 3.79 9.46 -20.84 2 3 1 31 264.352 3 ↓

Analogs

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Popular Name: 5-(1-cyclopropylbenzimidazol-2-yl)-2-methyl-aniline 5-(1-cyclopropylbenzimidazol-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) 3.84 8.34 -10.85 2 3 0 44 263.344 2 ↓
Mid Mid (pH 6-8) 3.84 8.82 -21.72 3 3 1 45 264.352 2 ↓

Analogs

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Popular Name: 4-chloro-2-(1-cyclopropylbenzimidazol-2-yl)aniline 4-chloro-2-(1-cyclopropylbenzimi…

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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) 4.07 8.55 -7.48 2 3 0 44 283.762 2 ↓
Lo Low (pH 4.5-6) 4.07 8.99 -23 3 3 1 45 284.77 2 ↓

Analogs

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Popular Name: 2-(1-cyclopropylbenzimidazol-2-yl)-6-methyl-aniline 2-(1-cyclopropylbenzimidazol-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) 3.81 8.75 -8.52 2 3 0 44 263.344 2 ↓
Mid Mid (pH 6-8) 3.81 9.23 -21.15 3 3 1 45 264.352 2 ↓

Analogs

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Popular Name: 2-(1-cyclopropylbenzimidazol-2-yl)-5-fluoro-aniline 2-(1-cyclopropylbenzimidazol-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) 3.55 8.09 -7.58 2 3 0 44 267.307 2 ↓
Lo Low (pH 4.5-6) 3.55 8.54 -24 3 3 1 45 268.315 2 ↓

Analogs

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Popular Name: 4-(1-cyclopropylbenzimidazol-2-yl)-2-methyl-aniline 4-(1-cyclopropylbenzimidazol-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) 3.84 8.82 -21.54 3 3 1 45 264.352 2 ↓

Analogs

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Popular Name: 2-[3-(chloromethyl)phenyl]-1-cyclopropyl-benzimidazole 2-[3-(chloromethyl)phenyl]-1-cyc…

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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) 4.53 10.96 -11.29 0 2 0 18 282.774 3 ↓
Mid Mid (pH 6-8) 4.53 11.45 -23.91 1 2 1 19 283.782 3 ↓

Analogs

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Popular Name: 2-[4-(chloromethyl)phenyl]-1-cyclopropyl-benzimidazole 2-[4-(chloromethyl)phenyl]-1-cyc…

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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 11.03 -11.03 0 2 0 18 282.774 3 ↓
Mid Mid (pH 6-8) 4.55 11.53 -24.31 1 2 1 19 283.782 3 ↓

Analogs

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Popular Name: 5-(1-cyclopropylbenzimidazol-2-yl)-2-methyl-phenol 5-(1-cyclopropylbenzimidazol-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) 4.34 7.58 -11.99 1 3 0 38 264.328 2 ↓
Mid Mid (pH 6-8) 4.34 8.07 -24.09 2 3 1 39 265.336 2 ↓

Analogs

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Popular Name: 4-chloro-2-(1-cyclopropylbenzimidazol-2-yl)phenol 4-chloro-2-(1-cyclopropylbenzimi…

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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) 4.37 8.4 -52.37 0 3 -1 41 283.738 2 ↓
Mid Mid (pH 6-8) 4.37 7.64 -10.36 1 3 0 38 284.746 2 ↓
Lo Low (pH 4.5-6) 4.37 8.1 -22.96 2 3 1 39 285.754 2 ↓

Analogs

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Popular Name: 4-bromo-2-(1-cyclopropylbenzimidazol-2-yl)phenol 4-bromo-2-(1-cyclopropylbenzimid…

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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) 4.50 8.5 -52.29 0 3 -1 41 328.189 2 ↓
Mid Mid (pH 6-8) 4.50 7.74 -10.23 1 3 0 38 329.197 2 ↓
Lo Low (pH 4.5-6) 4.50 8.2 -22.98 2 3 1 39 330.205 2 ↓

Analogs

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Popular Name: 5-chloro-2-(1-cyclopropylbenzimidazol-2-yl)phenol 5-chloro-2-(1-cyclopropylbenzimi…

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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) 4.37 8.41 -54.41 0 3 -1 41 283.738 2 ↓
Mid Mid (pH 6-8) 4.37 7.63 -10.59 1 3 0 38 284.746 2 ↓
Lo Low (pH 4.5-6) 4.37 8.09 -24.05 2 3 1 39 285.754 2 ↓

Analogs

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Popular Name: 2-(1-cyclopropylbenzimidazol-2-yl)-4,6-diiodo-phenol 2-(1-cyclopropylbenzimidazol-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) 5.78 10.13 -45.77 0 3 -1 41 501.085 2 ↓
Mid Mid (pH 6-8) 5.78 9.36 -8.54 1 3 0 38 502.093 2 ↓
Lo Low (pH 4.5-6) 5.78 9.82 -23.68 2 3 1 39 503.101 2 ↓

Analogs

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Popular Name: 3-(1-cyclopropylbenzimidazol-2-yl)phenol 3-(1-cyclopropylbenzimidazol-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) 3.48 6.89 -12.53 1 3 0 38 250.301 2 ↓
Mid Mid (pH 6-8) 3.48 7.39 -24.39 2 3 1 39 251.309 2 ↓

Analogs

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Popular Name: 2,4-dichloro-6-(1-cyclopropylbenzimidazol-2-yl)aniline 2,4-dichloro-6-(1-cyclopropylben…

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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) 4.67 9.11 -6.19 2 3 0 44 318.207 2 ↓
Lo Low (pH 4.5-6) 4.67 9.55 -23.44 3 3 1 45 319.215 2 ↓

Analogs

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Popular Name: 5-(1-cyclopropylbenzimidazol-2-yl)-2-fluoro-aniline 5-(1-cyclopropylbenzimidazol-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) 3.55 7.65 -9.52 2 3 0 44 267.307 2 ↓
Lo Low (pH 4.5-6) 3.55 8.14 -24.84 3 3 1 45 268.315 2 ↓

Analogs

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Popular Name: 3-(1-cyclopropylbenzimidazol-2-yl)-4-fluoro-aniline 3-(1-cyclopropylbenzimidazol-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) 3.15 7.8 -13.91 2 3 0 44 267.307 2 ↓
Mid Mid (pH 6-8) 3.15 8.23 -21.61 3 3 1 45 268.315 2 ↓

Analogs

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Popular Name: 2-amino-5-(1-cyclopropylbenzimidazol-2-yl)phenol 2-amino-5-(1-cyclopropylbenzimid…

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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) 3.17 5.32 -23.58 4 4 1 65 266.324 2 ↓

Analogs

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Popular Name: 5-(1-cyclopropylbenzimidazol-2-yl)-2,4-difluoro-aniline 5-(1-cyclopropylbenzimidazol-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) 3.65 7.89 -11.9 2 3 0 44 285.297 2 ↓
Lo Low (pH 4.5-6) 3.65 8.32 -23.54 3 3 1 45 286.305 2 ↓

Parameters Provided:

ring.id = 179247
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 = 179247 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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