UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 2.97 8.18 -12.58 0 5 0 47 337.37 6 ↓
Mid Mid (pH 6-8) 2.97 10.27 -45.52 1 5 1 49 338.378 6 ↓

Analogs

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Popular Name: (3S)-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperidin-3-ol (3S)-1-[[1-(difluoromethyl)benzi…

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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) 1.72 5.27 -38.03 2 4 1 42 282.314 3 ↓
Hi High (pH 8-9.5) 1.72 3.04 -7.92 1 4 0 41 281.306 3 ↓

Analogs

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Popular Name: (3R)-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperidin-3-ol (3R)-1-[[1-(difluoromethyl)benzi…

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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) 1.72 4.98 -37.95 2 4 1 42 282.314 3 ↓
Hi High (pH 8-9.5) 1.72 2.78 -8.97 1 4 0 41 281.306 3 ↓

Analogs

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Popular Name: 1-[(6-amino-1H-benzimidazol-2-yl)methyl]-N-methyl-piperidine-4-carboxamide 1-[(6-amino-1H-benzimidazol-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) 0.27 1.01 -15.79 4 6 0 87 287.367 3 ↓

Analogs

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Popular Name: 5-methyl-2-(1-piperidylmethyl)-1H-benzimidazole 5-methyl-2-(1-piperidylmethyl)-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) 2.67 7.66 -38.39 2 3 1 33 230.335 2 ↓
Mid Mid (pH 6-8) 2.67 5.45 -7.64 1 3 0 32 229.327 2 ↓

Analogs

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Popular Name: N-[1-ethyl-2-[(4-methyl-1-piperidyl)methyl]benzimidazol-5-yl]pentanamide N-[1-ethyl-2-[(4-methyl-1-piperi…

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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) 4.03 11.32 -48.52 2 5 1 51 357.522 7 ↓
Mid Mid (pH 6-8) 4.03 8.96 -12.45 1 5 0 50 356.514 7 ↓

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) 2.08 6.57 -15.28 0 8 0 85 422.551 8 ↓

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) 2.08 6.59 -16.62 0 8 0 85 422.551 8 ↓

Analogs

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Popular Name: 1-(1H-1,3-benzodiazol-2-ylmethyl)piperidin-4-amine trihydrochloride 1-(1H-1,3-benzodiazol-2-ylmethyl…

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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) 0.60 2.2 -47.04 4 4 1 60 231.323 2 ↓

Analogs

52310437
52310437

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Popular Name: N-[(3R)-1-[(5-chloro-1-methyl-benzimidazol-2-yl)methyl]-3-piperidyl]propanamide N-[(3R)-1-[(5-chloro-1-methyl-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) 2.43 8.36 -52.47 2 5 1 51 335.859 4 ↓
Mid Mid (pH 6-8) 2.43 6.15 -14.2 1 5 0 50 334.851 4 ↓

Analogs

52310437
52310437

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Popular Name: N-[(3S)-1-[(5-chloro-1-methyl-benzimidazol-2-yl)methyl]-3-piperidyl]propanamide N-[(3S)-1-[(5-chloro-1-methyl-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) 2.43 8.04 -54.47 2 5 1 51 335.859 4 ↓
Mid Mid (pH 6-8) 2.43 5.87 -17.08 1 5 0 50 334.851 4 ↓

Analogs

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Popular Name: (3R,6S)-N-butyl-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-6-methyl-piperidine-3-carboxamide (3R,6S)-N-butyl-1-[[1-(difluorom…

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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) 3.61 9.87 -36.8 2 5 1 51 379.475 7 ↓
Mid Mid (pH 6-8) 3.61 8.29 -14.25 1 5 0 50 378.467 7 ↓

Analogs

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Popular Name: (3S,6S)-N-butyl-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-6-methyl-piperidine-3-carboxamide (3S,6S)-N-butyl-1-[[1-(difluorom…

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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) 3.61 9.68 -40.49 2 5 1 51 379.475 7 ↓
Mid Mid (pH 6-8) 3.61 7.58 -15.5 1 5 0 50 378.467 7 ↓

Analogs

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Popular Name: (3R,6R)-N-butyl-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-6-methyl-piperidine-3-carboxamide (3R,6R)-N-butyl-1-[[1-(difluorom…

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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) 3.61 9.49 -44.46 2 5 1 51 379.475 7 ↓
Mid Mid (pH 6-8) 3.61 7.31 -14.96 1 5 0 50 378.467 7 ↓

Analogs

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Popular Name: (3S,6R)-N-butyl-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-6-methyl-piperidine-3-carboxamide (3S,6R)-N-butyl-1-[[1-(difluorom…

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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) 3.61 9.67 -35.09 2 5 1 51 379.475 7 ↓
Mid Mid (pH 6-8) 3.61 8 -10.65 1 5 0 50 378.467 7 ↓

Analogs

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Popular Name: 2-[(4-ethyl-4-methyl-1-piperidyl)methyl]-3H-benzimidazol-5-amine 2-[(4-ethyl-4-methyl-1-piperidyl…

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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) 2.29 6.45 -39.2 4 4 1 59 273.404 3 ↓
Mid Mid (pH 6-8) 2.29 4.23 -7.33 3 4 0 58 272.396 3 ↓

Analogs

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Popular Name: 2-[(4,4-diethyl-1-piperidyl)methyl]-3H-benzimidazol-5-amine 2-[(4,4-diethyl-1-piperidyl)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) 2.62 6.73 -39.66 4 4 1 59 287.431 4 ↓
Mid Mid (pH 6-8) 2.62 4.51 -7.85 3 4 0 58 286.423 4 ↓

Analogs

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Popular Name: 1-(difluoromethyl)-2-[[(2S,6R)-2,6-dimethyl-1-piperidyl]methyl]benzimidazole 1-(difluoromethyl)-2-[[(2S,6R)-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) 3.53 9.72 -32.93 1 3 1 22 294.369 3 ↓
Mid Mid (pH 6-8) 3.53 8.19 -7.14 0 3 0 21 293.361 3 ↓

Analogs

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Popular Name: 1-(difluoromethyl)-2-[[(2S,6S)-2,6-dimethyl-1-piperidyl]methyl]benzimidazole 1-(difluoromethyl)-2-[[(2S,6S)-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) 3.53 9.4 -31.34 1 3 1 22 294.369 3 ↓
Mid Mid (pH 6-8) 3.53 7.27 -7.54 0 3 0 21 293.361 3 ↓

Analogs

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Popular Name: 1-(difluoromethyl)-2-[[(2R,6R)-2,6-dimethyl-1-piperidyl]methyl]benzimidazole 1-(difluoromethyl)-2-[[(2R,6R)-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) 3.53 9.08 -32.68 1 3 1 22 294.369 3 ↓
Mid Mid (pH 6-8) 3.53 6.9 -8.48 0 3 0 21 293.361 3 ↓

Analogs

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Popular Name: 1-ethyl-2-[(4-hydroxy-1-piperidyl)methyl]-N,N-dimethyl-benzimidazole-5-sulfonamide 1-ethyl-2-[(4-hydroxy-1-piperidy…

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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) 0.10 4.26 -52.53 2 7 1 80 367.495 5 ↓
Mid Mid (pH 6-8) 0.10 2.06 -15.66 1 7 0 79 366.487 5 ↓

Analogs

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Popular Name: 1-[(1-ethyl-5-fluoro-benzimidazol-2-yl)methyl]piperidine-4-carboxamide 1-[(1-ethyl-5-fluoro-benzimidazo…

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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) 1.43 4.12 -15.84 2 5 0 64 304.369 4 ↓
Mid Mid (pH 6-8) 1.43 4.54 -36.53 3 5 1 65 305.377 4 ↓
Mid Mid (pH 6-8) 1.43 6.36 -55.12 3 5 1 65 305.377 4 ↓

Analogs

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Popular Name: (2R)-1-[(1-ethyl-5-fluoro-benzimidazol-2-yl)methyl]piperidine-2-carboxamide (2R)-1-[(1-ethyl-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) 2.11 4.16 -9.97 2 5 0 64 304.369 4 ↓
Mid Mid (pH 6-8) 2.11 4.48 -27.65 3 5 1 65 305.377 4 ↓
Mid Mid (pH 6-8) 2.11 6.26 -37.08 3 5 1 65 305.377 4 ↓

Analogs

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Popular Name: (2S)-1-[(1-ethyl-5-fluoro-benzimidazol-2-yl)methyl]piperidine-2-carboxamide (2S)-1-[(1-ethyl-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) 2.11 3.86 -18.77 2 5 0 64 304.369 4 ↓
Mid Mid (pH 6-8) 2.11 4.6 -27.63 3 5 1 65 305.377 4 ↓
Mid Mid (pH 6-8) 2.11 5.93 -47.02 3 5 1 65 305.377 4 ↓

Analogs

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Popular Name: 1-[(1-ethyl-5-fluoro-benzimidazol-2-yl)methyl]-N,N-dimethyl-piperidine-4-carboxamide 1-[(1-ethyl-5-fluoro-benzimidazo…

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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) 1.60 7.44 -15.46 0 5 0 41 332.423 4 ↓
Mid Mid (pH 6-8) 1.60 7.84 -37.01 1 5 1 43 333.431 4 ↓
Mid Mid (pH 6-8) 1.60 9.52 -56.44 1 5 1 43 333.431 4 ↓

Analogs

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Popular Name: (3R)-N-ethyl-1-[(1-ethyl-5-fluoro-benzimidazol-2-yl)methyl]piperidine-3-carboxamide (3R)-N-ethyl-1-[(1-ethyl-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) 2.18 8.65 -45.82 2 5 1 51 333.431 5 ↓
Mid Mid (pH 6-8) 2.18 6.84 -31.6 2 5 1 51 333.431 5 ↓
Mid Mid (pH 6-8) 2.18 6.44 -11.79 1 5 0 50 332.423 5 ↓

Analogs

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Popular Name: (3S)-N-ethyl-1-[(1-ethyl-5-fluoro-benzimidazol-2-yl)methyl]piperidine-3-carboxamide (3S)-N-ethyl-1-[(1-ethyl-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) 2.18 8.31 -45.87 2 5 1 51 333.431 5 ↓
Mid Mid (pH 6-8) 2.18 6.87 -31.96 2 5 1 51 333.431 5 ↓
Mid Mid (pH 6-8) 2.18 6.1 -12.89 1 5 0 50 332.423 5 ↓

Analogs

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Popular Name: 1-[(1-ethyl-5-fluoro-benzimidazol-2-yl)methyl]-N-isopropyl-piperidine-4-carboxamide 1-[(1-ethyl-5-fluoro-benzimidazo…

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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) 2.47 7.26 -15.61 1 5 0 50 346.45 5 ↓
Mid Mid (pH 6-8) 2.47 7.68 -36.19 2 5 1 51 347.458 5 ↓
Mid Mid (pH 6-8) 2.47 9.5 -54.85 2 5 1 51 347.458 5 ↓

Analogs

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Popular Name: 1-(difluoromethyl)-2-(1-piperidylmethyl)benzimidazole 1-(difluoromethyl)-2-(1-piperidy…

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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) 2.87 8.63 -37.08 1 3 1 22 266.315 3 ↓
Mid Mid (pH 6-8) 2.87 6.41 -6.79 0 3 0 21 265.307 3 ↓

Analogs

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Popular Name: 1-[(1-ethyl-4-fluoro-benzimidazol-2-yl)methyl]piperidin-4-ol 1-[(1-ethyl-4-fluoro-benzimidazo…

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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) 0.92 5.99 -46.69 2 4 1 42 278.351 3 ↓
Mid Mid (pH 6-8) 0.92 3.78 -14.22 1 4 0 41 277.343 3 ↓

Analogs

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Popular Name: 1-[(1-ethyl-4-fluoro-benzimidazol-2-yl)methyl]-N-isopropyl-piperidine-4-carboxamide 1-[(1-ethyl-4-fluoro-benzimidazo…

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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) 2.45 7.25 -18.12 1 5 0 50 346.45 5 ↓
Mid Mid (pH 6-8) 2.45 9.49 -54.79 2 5 1 51 347.458 5 ↓

Analogs

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Popular Name: N-[(3S)-1-[(1-ethyl-4-fluoro-benzimidazol-2-yl)methyl]-3-piperidyl]-2-methyl-propanamide N-[(3S)-1-[(1-ethyl-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) 2.52 9.15 -54.93 2 5 1 51 347.458 5 ↓
Mid Mid (pH 6-8) 2.52 6.94 -19.67 1 5 0 50 346.45 5 ↓

Analogs

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Popular Name: N-[(3R)-1-[(1-ethyl-4-fluoro-benzimidazol-2-yl)methyl]-3-piperidyl]-2-methyl-propanamide N-[(3R)-1-[(1-ethyl-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) 2.52 9.49 -52.56 2 5 1 51 347.458 5 ↓
Mid Mid (pH 6-8) 2.52 7.27 -16.29 1 5 0 50 346.45 5 ↓

Analogs

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Popular Name: N-[(3R)-1-[(1-ethyl-4-fluoro-benzimidazol-2-yl)methyl]-3-piperidyl]propanamide N-[(3R)-1-[(1-ethyl-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) 2.27 8.81 -52.54 2 5 1 51 333.431 5 ↓
Mid Mid (pH 6-8) 2.27 6.62 -16.65 1 5 0 50 332.423 5 ↓

Analogs

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Popular Name: N-[(3S)-1-[(1-ethyl-4-fluoro-benzimidazol-2-yl)methyl]-3-piperidyl]propanamide N-[(3S)-1-[(1-ethyl-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) 2.27 8.47 -54.86 2 5 1 51 333.431 5 ↓
Mid Mid (pH 6-8) 2.27 6.27 -20.07 1 5 0 50 332.423 5 ↓

Analogs

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Popular Name: N-[1-[(1-ethyl-5-fluoro-benzimidazol-2-yl)methyl]-4-piperidyl]-N-methyl-ethanesulfonamide N-[1-[(1-ethyl-5-fluoro-benzimid…

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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 6.04 -18.07 0 6 0 58 382.505 6 ↓
Mid Mid (pH 6-8) 2.09 6.46 -38.79 1 6 1 60 383.513 6 ↓
Mid Mid (pH 6-8) 2.09 8.27 -59.84 1 6 1 60 383.513 6 ↓

Analogs

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Popular Name: N-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-4-piperidyl]-N-methyl-ethanesulfonamide N-[1-[(4-fluoro-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) 1.62 3.61 -16.42 1 6 0 69 354.451 5 ↓
Mid Mid (pH 6-8) 1.62 5.82 -55.07 2 6 1 70 355.459 5 ↓

Analogs

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Popular Name: N-[2-(1-piperidylmethyl)-1-propyl-benzimidazol-5-yl]pentanamide N-[2-(1-piperidylmethyl)-1-propy…

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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 11.61 -44.35 2 5 1 51 357.522 8 ↓
Mid Mid (pH 6-8) 4.29 9.4 -10.94 1 5 0 50 356.514 8 ↓

Analogs

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Popular Name: 2-methyl-N-[2-(1-piperidylmethyl)-1-propyl-benzimidazol-5-yl]propanamide 2-methyl-N-[2-(1-piperidylmethyl…

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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 10.38 -44.32 2 5 1 51 343.495 6 ↓
Mid Mid (pH 6-8) 3.47 8.18 -11.29 1 5 0 50 342.487 6 ↓

Analogs

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Popular Name: 3-methyl-N-[2-(1-piperidylmethyl)-1-propyl-benzimidazol-5-yl]butanamide 3-methyl-N-[2-(1-piperidylmethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.00 11.08 -43.9 2 5 1 51 357.522 7 ↓
Mid Mid (pH 6-8) 4.00 8.88 -11.13 1 5 0 50 356.514 7 ↓

Analogs

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Popular Name: N-[1-isopropyl-2-(1-piperidylmethyl)benzimidazol-5-yl]propanamide N-[1-isopropyl-2-(1-piperidylmet…

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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) 3.09 9.62 -44.63 2 5 1 51 329.468 5 ↓
Mid Mid (pH 6-8) 3.09 7.41 -11.4 1 5 0 50 328.46 5 ↓

Analogs

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Popular Name: N-[1-isopropyl-2-(1-piperidylmethyl)benzimidazol-5-yl]butanamide N-[1-isopropyl-2-(1-piperidylmet…

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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) 3.64 10.38 -44.38 2 5 1 51 343.495 6 ↓
Mid Mid (pH 6-8) 3.64 8.18 -11.22 1 5 0 50 342.487 6 ↓

Analogs

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Popular Name: N-[1-isopropyl-2-(1-piperidylmethyl)benzimidazol-5-yl]pentanamide N-[1-isopropyl-2-(1-piperidylmet…

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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 11.16 -44.47 2 5 1 51 357.522 7 ↓
Mid Mid (pH 6-8) 4.15 8.96 -11.27 1 5 0 50 356.514 7 ↓

Analogs

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Popular Name: N-[1-isopropyl-2-(1-piperidylmethyl)benzimidazol-5-yl]-2-methyl-propanamide N-[1-isopropyl-2-(1-piperidylmet…

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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) 3.33 10.27 -44.23 2 5 1 51 343.495 5 ↓
Mid Mid (pH 6-8) 3.33 8.07 -10.98 1 5 0 50 342.487 5 ↓

Analogs

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Popular Name: N-[1-isopropyl-2-(1-piperidylmethyl)benzimidazol-5-yl]-3-methyl-butanamide N-[1-isopropyl-2-(1-piperidylmet…

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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 10.98 -43.84 2 5 1 51 357.522 6 ↓
Mid Mid (pH 6-8) 3.86 8.77 -10.7 1 5 0 50 356.514 6 ↓

Analogs

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Popular Name: N-[1-isopropyl-2-[(4-methyl-1-piperidyl)methyl]benzimidazol-5-yl]propanamide N-[1-isopropyl-2-[(4-methyl-1-pi…

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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) 3.33 10.32 -45.8 2 5 1 51 343.495 5 ↓
Mid Mid (pH 6-8) 3.33 8.15 -11.35 1 5 0 50 342.487 5 ↓

Analogs

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Popular Name: N-[1-isopropyl-2-[(4-methyl-1-piperidyl)methyl]benzimidazol-5-yl]butanamide N-[1-isopropyl-2-[(4-methyl-1-pi…

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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 11.09 -45.57 2 5 1 51 357.522 6 ↓
Mid Mid (pH 6-8) 3.89 8.92 -11.04 1 5 0 50 356.514 6 ↓

Analogs

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Popular Name: N-[1-isopropyl-2-[(4-methyl-1-piperidyl)methyl]benzimidazol-5-yl]pentanamide N-[1-isopropyl-2-[(4-methyl-1-pi…

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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) 4.39 11.87 -45.58 2 5 1 51 371.549 7 ↓
Mid Mid (pH 6-8) 4.39 9.7 -11.11 1 5 0 50 370.541 7 ↓

Analogs

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Popular Name: N-[1-isopropyl-2-[(4-methyl-1-piperidyl)methyl]benzimidazol-5-yl]-2-methyl-propanamide N-[1-isopropyl-2-[(4-methyl-1-pi…

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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) 3.57 10.9 -45.2 2 5 1 51 357.522 5 ↓
Mid Mid (pH 6-8) 3.57 8.66 -10.91 1 5 0 50 356.514 5 ↓

Analogs

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Popular Name: N-[1-butyl-2-(1-piperidylmethyl)benzimidazol-5-yl]acetamide N-[1-butyl-2-(1-piperidylmethyl)…

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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) 2.95 9.68 -45.59 2 5 1 51 329.468 6 ↓
Mid Mid (pH 6-8) 2.95 7.48 -12.14 1 5 0 50 328.46 6 ↓

Parameters Provided:

ring.id = 14261
filter.purchasability = annotated
page.format = targets
page.num = 1

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 = 14261 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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