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Analogs

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Popular Name: (1S)-4-[(1-methylimidazol-2-yl)methoxy]indan-1-amine (1S)-4-[(1-methylimidazol-2-yl)m…

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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) -0.55 5.34 -51.49 3 4 1 55 244.318 3 ↓
Hi High (pH 8-9.5) -0.55 5.03 -9.5 2 4 0 53 243.31 3 ↓
Mid Mid (pH 6-8) -0.55 6 -82.96 4 4 2 56 245.326 3 ↓

Analogs

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Popular Name: (1R)-4-[(1-methylimidazol-2-yl)methoxy]indan-1-amine (1R)-4-[(1-methylimidazol-2-yl)m…

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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) -0.55 5.33 -52.2 3 4 1 55 244.318 3 ↓
Hi High (pH 8-9.5) -0.55 5.03 -10.61 2 4 0 53 243.31 3 ↓
Mid Mid (pH 6-8) -0.55 5.99 -82.84 4 4 2 56 245.326 3 ↓

Analogs

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Popular Name: (1S)-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]indan-1-amine (1S)-4-[[1-(difluoromethyl)imida…

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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) 0.01 5.38 -50.47 3 4 1 55 280.298 4 ↓
Hi High (pH 8-9.5) 0.01 5.07 -10.03 2 4 0 53 279.29 4 ↓
Lo Low (pH 4.5-6) 0.01 6.01 -85.63 4 4 2 56 281.306 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]indan-1-amine (1R)-4-[[1-(difluoromethyl)imida…

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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) 0.01 5.38 -52.1 3 4 1 55 280.298 4 ↓
Hi High (pH 8-9.5) 0.01 5.09 -11.16 2 4 0 53 279.29 4 ↓
Lo Low (pH 4.5-6) 0.01 6.01 -85.7 4 4 2 56 281.306 4 ↓

Analogs

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Popular Name: (1S)-4-[(5-chloro-1-methyl-imidazol-2-yl)methoxy]indan-1-amine (1S)-4-[(5-chloro-1-methyl-imida…

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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) 0.26 5.71 -49.7 3 4 1 55 278.763 3 ↓
Hi High (pH 8-9.5) 0.26 5.39 -7.44 2 4 0 53 277.755 3 ↓
Lo Low (pH 4.5-6) 0.26 6.37 -84.69 4 4 2 56 279.771 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-4-[(5-chloro-1-methyl-imidazol-2-yl)methoxy]indan-1-amine (1R)-4-[(5-chloro-1-methyl-imida…

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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) 0.26 5.7 -50.52 3 4 1 55 278.763 3 ↓
Hi High (pH 8-9.5) 0.26 5.39 -8.45 2 4 0 53 277.755 3 ↓
Lo Low (pH 4.5-6) 0.26 6.36 -84.35 4 4 2 56 279.771 3 ↓

Analogs

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Popular Name: (1S)-4-[(1-ethylimidazol-2-yl)methoxy]indan-1-amine (1S)-4-[(1-ethylimidazol-2-yl)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) -0.17 6.22 -51 3 4 1 55 258.345 4 ↓
Hi High (pH 8-9.5) -0.17 5.9 -8.99 2 4 0 53 257.337 4 ↓
Mid Mid (pH 6-8) -0.17 6.9 -82.48 4 4 2 56 259.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-4-[(1-ethylimidazol-2-yl)methoxy]indan-1-amine (1R)-4-[(1-ethylimidazol-2-yl)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) -0.17 6.21 -51.81 3 4 1 55 258.345 4 ↓
Hi High (pH 8-9.5) -0.17 5.9 -10.08 2 4 0 53 257.337 4 ↓
Mid Mid (pH 6-8) -0.17 6.89 -82.31 4 4 2 56 259.353 4 ↓

Analogs

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Popular Name: (1R)-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]indan-1-amine (1R)-N-methyl-4-[(1-methylimidaz…

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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) 1.71 6.98 -44.78 2 4 1 44 258.345 4 ↓
Hi High (pH 8-9.5) 1.71 5.74 -9.21 1 4 0 39 257.337 4 ↓
Mid Mid (pH 6-8) 1.71 7.64 -78.28 3 4 2 45 259.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]indan-1-amine (1S)-N-methyl-4-[(1-methylimidaz…

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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) 1.71 7.14 -46.93 2 4 1 44 258.345 4 ↓
Hi High (pH 8-9.5) 1.71 5.67 -9.91 1 4 0 39 257.337 4 ↓
Mid Mid (pH 6-8) 1.71 7.8 -77.74 3 4 2 45 259.353 4 ↓

Analogs

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Popular Name: (1R)-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-N-methyl-indan-1-amine (1R)-4-[[1-(difluoromethyl)imida…

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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 7.03 -44.66 2 4 1 44 294.325 5 ↓
Hi High (pH 8-9.5) 2.27 5.79 -9.79 1 4 0 39 293.317 5 ↓
Lo Low (pH 4.5-6) 2.27 7.67 -81.39 3 4 2 45 295.333 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-N-methyl-indan-1-amine (1S)-4-[[1-(difluoromethyl)imida…

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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 7.19 -46.46 2 4 1 44 294.325 5 ↓
Hi High (pH 8-9.5) 2.27 5.72 -10.6 1 4 0 39 293.317 5 ↓
Lo Low (pH 4.5-6) 2.27 7.83 -80.35 3 4 2 45 295.333 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-4-[(5-chloro-1-methyl-imidazol-2-yl)methoxy]-N-methyl-indan-1-amine (1R)-4-[(5-chloro-1-methyl-imida…

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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) 2.51 7.35 -43.2 2 4 1 44 292.79 4 ↓
Hi High (pH 8-9.5) 2.51 6.11 -7.15 1 4 0 39 291.782 4 ↓
Lo Low (pH 4.5-6) 2.51 8.01 -80.13 3 4 2 45 293.798 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-4-[(5-chloro-1-methyl-imidazol-2-yl)methoxy]-N-methyl-indan-1-amine (1S)-4-[(5-chloro-1-methyl-imida…

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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) 2.51 7.5 -45.23 2 4 1 44 292.79 4 ↓
Hi High (pH 8-9.5) 2.51 6.03 -7.8 1 4 0 39 291.782 4 ↓
Lo Low (pH 4.5-6) 2.51 8.16 -79.33 3 4 2 45 293.798 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-4-[(1-ethylimidazol-2-yl)methoxy]-N-methyl-indan-1-amine (1S)-4-[(1-ethylimidazol-2-yl)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) 2.08 7.87 -45.85 2 4 1 44 272.372 5 ↓
Hi High (pH 8-9.5) 2.08 6.62 -8.63 1 4 0 39 271.364 5 ↓
Mid Mid (pH 6-8) 2.08 8.55 -77.96 3 4 2 45 273.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-4-[(1-ethylimidazol-2-yl)methoxy]-N-methyl-indan-1-amine (1R)-4-[(1-ethylimidazol-2-yl)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) 2.08 8.01 -45.82 2 4 1 44 272.372 5 ↓
Hi High (pH 8-9.5) 2.08 6.53 -9.66 1 4 0 39 271.364 5 ↓
Mid Mid (pH 6-8) 2.08 8.7 -77.21 3 4 2 45 273.38 5 ↓

Analogs

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Popular Name: (1R)-N-ethyl-4-[(1-methylimidazol-2-yl)methoxy]indan-1-amine (1R)-N-ethyl-4-[(1-methylimidazo…

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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 7.82 -43.35 2 4 1 44 272.372 5 ↓
Mid Mid (pH 6-8) 2.08 8.48 -77.31 3 4 2 45 273.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-ethyl-4-[(1-methylimidazol-2-yl)methoxy]indan-1-amine (1S)-N-ethyl-4-[(1-methylimidazo…

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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 8 -45.44 2 4 1 44 272.372 5 ↓
Mid Mid (pH 6-8) 2.08 8.66 -77.02 3 4 2 45 273.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-4-[(5-chloro-1-methyl-imidazol-2-yl)methoxy]-N-ethyl-indan-1-amine (1R)-4-[(5-chloro-1-methyl-imida…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.89 8.19 -41.91 2 4 1 44 306.817 5 ↓
Lo Low (pH 4.5-6) 2.89 8.85 -79.14 3 4 2 45 307.825 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-4-[(5-chloro-1-methyl-imidazol-2-yl)methoxy]-N-ethyl-indan-1-amine (1S)-4-[(5-chloro-1-methyl-imida…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.89 8.36 -43.72 2 4 1 44 306.817 5 ↓
Lo Low (pH 4.5-6) 2.89 9.02 -78.6 3 4 2 45 307.825 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-ethyl-4-[(1-ethylimidazol-2-yl)methoxy]indan-1-amine (1R)-N-ethyl-4-[(1-ethylimidazol…

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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) 2.46 8.69 -42.91 2 4 1 44 286.399 6 ↓
Mid Mid (pH 6-8) 2.46 9.38 -76.8 3 4 2 45 287.407 6 ↓

Analogs

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Popular Name: (1S)-N-ethyl-4-[(1-ethylimidazol-2-yl)methoxy]indan-1-amine (1S)-N-ethyl-4-[(1-ethylimidazol…

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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) 2.46 8.87 -45.05 2 4 1 44 286.399 6 ↓
Mid Mid (pH 6-8) 2.46 9.55 -76.56 3 4 2 45 287.407 6 ↓

Analogs

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Popular Name: (1R)-4-[(1-methylimidazol-2-yl)methoxy]-N-propyl-indan-1-amine (1R)-4-[(1-methylimidazol-2-yl)m…

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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) 2.59 8.58 -43.97 2 4 1 44 286.399 6 ↓
Mid Mid (pH 6-8) 2.59 9.24 -78.34 3 4 2 45 287.407 6 ↓

Analogs

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Popular Name: (1S)-4-[(1-methylimidazol-2-yl)methoxy]-N-propyl-indan-1-amine (1S)-4-[(1-methylimidazol-2-yl)m…

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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) 2.59 8.76 -46.23 2 4 1 44 286.399 6 ↓
Mid Mid (pH 6-8) 2.59 9.43 -78.1 3 4 2 45 287.407 6 ↓

Analogs

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Popular Name: (1S)-4-[(1-methylimidazol-2-yl)methoxy]indan-1-ol (1S)-4-[(1-methylimidazol-2-yl)m…

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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) 1.15 4.72 -11.39 1 4 0 47 244.294 3 ↓
Mid Mid (pH 6-8) 1.15 5.38 -32.19 2 4 1 49 245.302 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-4-[(1-methylimidazol-2-yl)methoxy]indan-1-ol (1R)-4-[(1-methylimidazol-2-yl)m…

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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) 1.15 4.72 -11.65 1 4 0 47 244.294 3 ↓
Mid Mid (pH 6-8) 1.15 5.38 -32.71 2 4 1 49 245.302 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]indan-1-ol (1S)-4-[[1-(difluoromethyl)imida…

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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) 1.71 4.77 -12.32 1 4 0 47 280.274 4 ↓
Lo Low (pH 4.5-6) 1.71 5.4 -34.19 2 4 1 49 281.282 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]indan-1-ol (1R)-4-[[1-(difluoromethyl)imida…

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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) 1.71 4.77 -12.21 1 4 0 47 280.274 4 ↓
Lo Low (pH 4.5-6) 1.71 5.4 -34.67 2 4 1 49 281.282 4 ↓

Analogs

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Popular Name: (1S)-4-[(5-chloro-1-methyl-imidazol-2-yl)methoxy]indan-1-ol (1S)-4-[(5-chloro-1-methyl-imida…

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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 5.08 -9.35 1 4 0 47 278.739 3 ↓
Lo Low (pH 4.5-6) 1.96 5.74 -32.61 2 4 1 49 279.747 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-4-[(5-chloro-1-methyl-imidazol-2-yl)methoxy]indan-1-ol (1R)-4-[(5-chloro-1-methyl-imida…

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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 5.09 -9.58 1 4 0 47 278.739 3 ↓
Lo Low (pH 4.5-6) 1.96 5.75 -33.17 2 4 1 49 279.747 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-4-[(1-ethylimidazol-2-yl)methoxy]indan-1-ol (1S)-4-[(1-ethylimidazol-2-yl)me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.53 5.59 -10.83 1 4 0 47 258.321 4 ↓
Mid Mid (pH 6-8) 1.53 6.27 -31.36 2 4 1 49 259.329 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-4-[(1-ethylimidazol-2-yl)methoxy]indan-1-ol (1R)-4-[(1-ethylimidazol-2-yl)me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.53 5.6 -11.15 1 4 0 47 258.321 4 ↓
Mid Mid (pH 6-8) 1.53 6.28 -31.94 2 4 1 49 259.329 4 ↓

Parameters Provided:

ring.id = 273359
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 = 273359 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=273359&filter.purchasability=annotated

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