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Analogs

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Popular Name: 1-(2-morpholinoethyl)benzimidazol-5-amine 1-(2-morpholinoethyl)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) 0.42 3.08 -10.09 2 5 0 56 246.314 3 ↓
Mid Mid (pH 6-8) 0.42 5.34 -50.55 3 5 1 58 247.322 3 ↓
Mid Mid (pH 6-8) 0.42 3.57 -33.66 3 5 1 58 247.322 3 ↓

Analogs

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Popular Name: 2-methyl-1-(2-morpholinoethyl)benzimidazol-5-amine 2-methyl-1-(2-morpholinoethyl)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) 0.51 2.89 -10.35 2 5 0 56 260.341 3 ↓
Mid Mid (pH 6-8) 0.51 3.33 -28.91 3 5 1 58 261.349 3 ↓
Lo Low (pH 4.5-6) 0.51 5.59 -97.23 4 5 2 59 262.357 3 ↓

Analogs

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Popular Name: 2-ethyl-1-(2-morpholinoethyl)benzimidazol-5-amine 2-ethyl-1-(2-morpholinoethyl)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) 1.08 3.49 -10 2 5 0 56 274.368 4 ↓
Mid Mid (pH 6-8) 1.08 3.79 -27.5 3 5 1 58 275.376 4 ↓
Lo Low (pH 4.5-6) 1.08 6.05 -95.68 4 5 2 59 276.384 4 ↓

Analogs

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Popular Name: 1-(2-morpholinoethyl)-2-propyl-benzimidazol-5-amine 1-(2-morpholinoethyl)-2-propyl-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) 1.59 4.27 -9.71 2 5 0 56 288.395 5 ↓
Mid Mid (pH 6-8) 1.59 4.57 -27.49 3 5 1 58 289.403 5 ↓
Lo Low (pH 4.5-6) 1.59 6.82 -96.62 4 5 2 59 290.411 5 ↓

Analogs

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Popular Name: 2-isopropyl-1-(2-morpholinoethyl)benzimidazol-5-amine 2-isopropyl-1-(2-morpholinoethyl…

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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) 1.57 3.91 -9.67 2 5 0 56 288.395 4 ↓
Mid Mid (pH 6-8) 1.57 4.38 -26 3 5 1 58 289.403 4 ↓
Lo Low (pH 4.5-6) 1.57 6.64 -95.1 4 5 2 59 290.411 4 ↓

Analogs

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Popular Name: 1-[(1S)-1-methyl-2-morpholino-ethyl]benzimidazol-5-amine 1-[(1S)-1-methyl-2-morpholino-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) 0.79 3.76 -9.59 2 5 0 56 260.341 3 ↓
Mid Mid (pH 6-8) 0.79 5.76 -49.33 3 5 1 58 261.349 3 ↓
Mid Mid (pH 6-8) 0.79 4.25 -31.9 3 5 1 58 261.349 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-methyl-2-morpholino-ethyl]benzimidazol-5-amine 1-[(1R)-1-methyl-2-morpholino-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) 0.79 3.8 -9.56 2 5 0 56 260.341 3 ↓
Mid Mid (pH 6-8) 0.79 5.98 -44.87 3 5 1 58 261.349 3 ↓
Mid Mid (pH 6-8) 0.79 4.29 -31.87 3 5 1 58 261.349 3 ↓

Analogs

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Popular Name: 2-methyl-1-[(1S)-1-methyl-2-morpholino-ethyl]benzimidazol-5-amine 2-methyl-1-[(1S)-1-methyl-2-morp…

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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) 0.88 3.49 -10.24 2 5 0 56 274.368 3 ↓
Mid Mid (pH 6-8) 0.88 3.93 -28.16 3 5 1 58 275.376 3 ↓
Lo Low (pH 4.5-6) 0.88 5.93 -93.44 4 5 2 59 276.384 3 ↓

Analogs

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Popular Name: 2-methyl-1-[(1R)-1-methyl-2-morpholino-ethyl]benzimidazol-5-amine 2-methyl-1-[(1R)-1-methyl-2-morp…

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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) 0.88 3.48 -10.26 2 5 0 56 274.368 3 ↓
Mid Mid (pH 6-8) 0.88 3.92 -27.97 3 5 1 58 275.376 3 ↓
Lo Low (pH 4.5-6) 0.88 6.08 -94.68 4 5 2 59 276.384 3 ↓

Analogs

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Popular Name: 2-ethyl-1-[(1S)-1-methyl-2-morpholino-ethyl]benzimidazol-5-amine 2-ethyl-1-[(1S)-1-methyl-2-morph…

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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 4.04 -9.84 2 5 0 56 288.395 4 ↓
Mid Mid (pH 6-8) 1.45 4.52 -26.6 3 5 1 58 289.403 4 ↓
Lo Low (pH 4.5-6) 1.45 6.52 -92.6 4 5 2 59 290.411 4 ↓

Analogs

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Popular Name: 2-ethyl-1-[(1R)-1-methyl-2-morpholino-ethyl]benzimidazol-5-amine 2-ethyl-1-[(1R)-1-methyl-2-morph…

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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 3.8 -10.81 2 5 0 56 288.395 4 ↓
Mid Mid (pH 6-8) 1.45 4.54 -26.66 3 5 1 58 289.403 4 ↓
Lo Low (pH 4.5-6) 1.45 6.54 -92.14 4 5 2 59 290.411 4 ↓

Analogs

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Popular Name: [5-chloro-1-(2-morpholinoethyl)benzimidazol-2-yl]methanol [5-chloro-1-(2-morpholinoethyl)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) 1.47 1.92 -11.95 1 5 0 51 295.77 4 ↓

Analogs

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Popular Name: 5-chloro-1-[(1S)-1-methyl-2-morpholino-ethyl]benzimidazol-2-amine 5-chloro-1-[(1S)-1-methyl-2-morp…

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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) 2.19 5.96 -8.68 2 5 0 56 294.786 3 ↓
Mid Mid (pH 6-8) 2.19 7.96 -51.01 3 5 1 58 295.794 3 ↓
Mid Mid (pH 6-8) 2.19 6.43 -30.53 3 5 1 58 295.794 3 ↓

Analogs

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Popular Name: 5-chloro-1-[(1R)-1-methyl-2-morpholino-ethyl]benzimidazol-2-amine 5-chloro-1-[(1R)-1-methyl-2-morp…

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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) 2.19 5.94 -8.67 2 5 0 56 294.786 3 ↓
Mid Mid (pH 6-8) 2.19 8.19 -46.53 3 5 1 58 295.794 3 ↓
Mid Mid (pH 6-8) 2.19 6.41 -30.57 3 5 1 58 295.794 3 ↓

Analogs

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Popular Name: 5-fluoro-1-[(1S)-1-methyl-2-morpholino-ethyl]benzimidazol-2-amine 5-fluoro-1-[(1S)-1-methyl-2-morp…

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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) 1.68 5.99 -30.94 3 5 1 58 279.339 3 ↓

Analogs

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Popular Name: 5-fluoro-1-[(1R)-1-methyl-2-morpholino-ethyl]benzimidazol-2-amine 5-fluoro-1-[(1R)-1-methyl-2-morp…

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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) 1.68 5.97 -31.01 3 5 1 58 279.339 3 ↓

Analogs

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Popular Name: 5-bromo-1-[(1S)-1-methyl-2-morpholino-ethyl]benzimidazol-2-amine 5-bromo-1-[(1S)-1-methyl-2-morph…

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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) 2.33 6.07 -8.58 2 5 0 56 339.237 3 ↓
Mid Mid (pH 6-8) 2.33 6.53 -30.62 3 5 1 58 340.245 3 ↓
Mid Mid (pH 6-8) 2.33 8.06 -50.94 3 5 1 58 340.245 3 ↓

Analogs

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Popular Name: 5-bromo-1-[(1R)-1-methyl-2-morpholino-ethyl]benzimidazol-2-amine 5-bromo-1-[(1R)-1-methyl-2-morph…

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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) 2.33 6.05 -8.6 2 5 0 56 339.237 3 ↓
Mid Mid (pH 6-8) 2.33 6.52 -30.71 3 5 1 58 340.245 3 ↓
Mid Mid (pH 6-8) 2.33 8.3 -46.45 3 5 1 58 340.245 3 ↓

Analogs

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Popular Name: 7-chloro-1-[(1S)-1-methyl-2-morpholino-ethyl]benzimidazol-2-amine 7-chloro-1-[(1S)-1-methyl-2-morp…

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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) 2.17 5.77 -8.1 2 5 0 56 294.786 3 ↓
Mid Mid (pH 6-8) 2.17 6.24 -29.75 3 5 1 58 295.794 3 ↓
Mid Mid (pH 6-8) 2.17 7.76 -43.35 3 5 1 58 295.794 3 ↓

Analogs

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Popular Name: 7-chloro-1-[(1R)-1-methyl-2-morpholino-ethyl]benzimidazol-2-amine 7-chloro-1-[(1R)-1-methyl-2-morp…

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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) 2.17 5.75 -8.12 2 5 0 56 294.786 3 ↓
Mid Mid (pH 6-8) 2.17 6.23 -29.81 3 5 1 58 295.794 3 ↓
Mid Mid (pH 6-8) 2.17 7.76 -43.35 3 5 1 58 295.794 3 ↓

Analogs

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Popular Name: 5-methyl-1-[(1S)-1-methyl-2-morpholino-ethyl]benzimidazol-2-amine 5-methyl-1-[(1S)-1-methyl-2-morp…

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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) 1.96 6.58 -27.85 3 5 1 58 275.376 3 ↓

Analogs

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Popular Name: 5-methyl-1-[(1R)-1-methyl-2-morpholino-ethyl]benzimidazol-2-amine 5-methyl-1-[(1R)-1-methyl-2-morp…

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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) 1.96 6.57 -27.83 3 5 1 58 275.376 3 ↓

Analogs

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Popular Name: 4-fluoro-1-[(1S)-1-methyl-2-morpholino-ethyl]benzimidazol-2-amine 4-fluoro-1-[(1S)-1-methyl-2-morp…

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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) 1.66 5.51 -11.89 2 5 0 56 278.331 3 ↓
Mid Mid (pH 6-8) 1.66 7.51 -53.98 3 5 1 58 279.339 3 ↓
Mid Mid (pH 6-8) 1.66 5.98 -29.19 3 5 1 58 279.339 3 ↓

Analogs

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Popular Name: 4-fluoro-1-[(1R)-1-methyl-2-morpholino-ethyl]benzimidazol-2-amine 4-fluoro-1-[(1R)-1-methyl-2-morp…

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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) 1.66 5.5 -11.93 2 5 0 56 278.331 3 ↓
Mid Mid (pH 6-8) 1.66 7.75 -49.31 3 5 1 58 279.339 3 ↓
Mid Mid (pH 6-8) 1.66 5.97 -29.27 3 5 1 58 279.339 3 ↓

Analogs

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Popular Name: 4-[(2S)-2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine 4-[(2S)-2-[5-chloro-2-(chloromet…

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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) 3.07 6.66 -8.21 0 4 0 30 328.243 4 ↓
Mid Mid (pH 6-8) 3.07 8.62 -49.6 1 4 1 31 329.251 4 ↓

Analogs

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Popular Name: 4-[(2R)-2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine 4-[(2R)-2-[5-chloro-2-(chloromet…

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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) 3.07 6.39 -8.25 0 4 0 30 328.243 4 ↓
Mid Mid (pH 6-8) 3.07 8.44 -49.08 1 4 1 31 329.251 4 ↓

Analogs

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Popular Name: 4-[(2S)-2-[2-(chloromethyl)-5-fluoro-benzimidazol-1-yl]propyl]morpholine 4-[(2S)-2-[2-(chloromethyl)-5-fl…

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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) 2.56 6.22 -8.83 0 4 0 30 311.788 4 ↓
Mid Mid (pH 6-8) 2.56 8.18 -50.88 1 4 1 31 312.796 4 ↓

Analogs

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Popular Name: 4-[(2R)-2-[2-(chloromethyl)-5-fluoro-benzimidazol-1-yl]propyl]morpholine 4-[(2R)-2-[2-(chloromethyl)-5-fl…

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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) 2.56 5.95 -8.89 0 4 0 30 311.788 4 ↓
Mid Mid (pH 6-8) 2.56 8 -50.4 1 4 1 31 312.796 4 ↓

Analogs

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Popular Name: 4-[(2S)-2-[7-chloro-2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine 4-[(2S)-2-[7-chloro-2-(chloromet…

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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) 3.05 6.28 -7.65 0 4 0 30 328.243 4 ↓
Mid Mid (pH 6-8) 3.05 8.25 -44 1 4 1 31 329.251 4 ↓

Analogs

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Popular Name: 4-[(2R)-2-[7-chloro-2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine 4-[(2R)-2-[7-chloro-2-(chloromet…

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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) 3.05 6.15 -7.7 0 4 0 30 328.243 4 ↓
Mid Mid (pH 6-8) 3.05 8.24 -41.28 1 4 1 31 329.251 4 ↓

Analogs

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Popular Name: 4-[(2S)-2-[2-(chloromethyl)-5-methyl-benzimidazol-1-yl]propyl]morpholine 4-[(2S)-2-[2-(chloromethyl)-5-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) 2.84 6.72 -8.82 0 4 0 30 307.825 4 ↓
Mid Mid (pH 6-8) 2.84 8.78 -50.27 1 4 1 31 308.833 4 ↓
Lo Low (pH 4.5-6) 2.84 9.22 -96.63 2 4 2 33 309.841 4 ↓

Analogs

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Popular Name: 4-[(2R)-2-[2-(chloromethyl)-5-methyl-benzimidazol-1-yl]propyl]morpholine 4-[(2R)-2-[2-(chloromethyl)-5-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) 2.84 6.4 -9.57 0 4 0 30 307.825 4 ↓
Mid Mid (pH 6-8) 2.84 8.78 -46.1 1 4 1 31 308.833 4 ↓
Lo Low (pH 4.5-6) 2.84 9.22 -96.93 2 4 2 33 309.841 4 ↓

Analogs

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Popular Name: 4-[(2S)-2-[2-(chloromethyl)-4-fluoro-benzimidazol-1-yl]propyl]morpholine 4-[(2S)-2-[2-(chloromethyl)-4-fl…

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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) 2.53 6.21 -11.45 0 4 0 30 311.788 4 ↓
Mid Mid (pH 6-8) 2.53 8.17 -53.01 1 4 1 31 312.796 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R)-2-[2-(chloromethyl)-4-fluoro-benzimidazol-1-yl]propyl]morpholine 4-[(2R)-2-[2-(chloromethyl)-4-fl…

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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) 2.53 5.94 -11.45 0 4 0 30 311.788 4 ↓
Mid Mid (pH 6-8) 2.53 7.99 -52.17 1 4 1 31 312.796 4 ↓

Analogs

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Popular Name: 1-[(1S)-1-methyl-2-morpholino-ethyl]benzimidazole-5-carboxylic 1-[(1S)-1-methyl-2-morpholino-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) 1.62 6.44 -55.68 0 6 -1 70 288.327 4 ↓
Mid Mid (pH 6-8) 1.62 6.93 -60.22 1 6 0 72 289.335 4 ↓
Mid Mid (pH 6-8) 1.62 8.44 -90.14 1 6 0 72 289.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-methyl-2-morpholino-ethyl]benzimidazole-5-carboxylic 1-[(1R)-1-methyl-2-morpholino-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) 1.62 6.46 -55.68 0 6 -1 70 288.327 4 ↓
Mid Mid (pH 6-8) 1.62 6.95 -60.24 1 6 0 72 289.335 4 ↓
Mid Mid (pH 6-8) 1.62 8.66 -84.78 1 6 0 72 289.335 4 ↓

Parameters Provided:

ring.id = 26935
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 = 26935 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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