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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazole-2-carbaldehyde 1-[[(2S)-tetrahydrofuran-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) 0.26 3.84 -14.66 0 4 0 44 180.207 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazole-2-carbaldehyde 1-[[(2R)-tetrahydrofuran-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) 0.26 3.93 -14.76 0 4 0 44 180.207 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-2-yl]methanol [1-[[(2S)-tetrahydrofuran-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) -0.19 2.12 -28.04 2 4 1 49 183.231 3 ↓
Mid Mid (pH 6-8) -0.19 1.4 -10.89 1 4 0 47 182.223 3 ↓

Analogs

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Popular Name: [1-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-2-yl]methanol [1-[[(2R)-tetrahydrofuran-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) -0.19 2.29 -26.8 2 4 1 49 183.231 3 ↓
Mid Mid (pH 6-8) -0.19 1.61 -10.75 1 4 0 47 182.223 3 ↓

Analogs

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Popular Name: [1-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-2-yl]methanamine [1-[[(2S)-tetrahydrofuran-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) -0.34 2.08 -49.96 3 4 1 55 182.247 3 ↓
Hi High (pH 8-9.5) -0.34 1.68 -7.68 2 4 0 53 181.239 3 ↓
Mid Mid (pH 6-8) -0.34 2.29 -27.06 3 4 1 54 182.247 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-2-yl]methanamine [1-[[(2R)-tetrahydrofuran-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) -0.34 2.29 -43.72 3 4 1 55 182.247 3 ↓
Hi High (pH 8-9.5) -0.34 1.9 -7.73 2 4 0 53 181.239 3 ↓
Mid Mid (pH 6-8) -0.34 3.18 -26.38 3 4 1 54 182.247 3 ↓

Analogs

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Popular Name: N-methyl-1-[1-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-2-yl]methanamine N-methyl-1-[1-[[(2S)-tetrahydrof…

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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) 0.03 3.96 -44.17 2 4 1 44 196.274 4 ↓
Hi High (pH 8-9.5) 0.03 2.52 -7.24 1 4 0 39 195.266 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[1-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-2-yl]methanamine N-methyl-1-[1-[[(2R)-tetrahydrof…

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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) 0.03 4.16 -38.47 2 4 1 44 196.274 4 ↓
Hi High (pH 8-9.5) 0.03 2.72 -7.54 1 4 0 39 195.266 4 ↓

Analogs

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Popular Name: N-[[1-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-2-yl]methyl]ethanamine N-[[1-[[(2S)-tetrahydrofuran-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) 0.41 4.82 -42.99 2 4 1 44 210.301 5 ↓
Hi High (pH 8-9.5) 0.41 3.45 -6.99 1 4 0 39 209.293 5 ↓

Analogs

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Popular Name: N-[[1-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-2-yl]methyl]ethanamine N-[[1-[[(2R)-tetrahydrofuran-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) 0.41 5.02 -37 2 4 1 44 210.301 5 ↓
Hi High (pH 8-9.5) 0.41 3.65 -7.23 1 4 0 39 209.293 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-2-yl]methyl]propan-1-amine N-[[1-[[(2S)-tetrahydrofuran-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) 0.91 5.57 -43.7 2 4 1 44 224.328 6 ↓
Hi High (pH 8-9.5) 0.91 4.21 -6.88 1 4 0 39 223.32 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-2-yl]methyl]propan-1-amine N-[[1-[[(2R)-tetrahydrofuran-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) 0.91 5.77 -37.58 2 4 1 44 224.328 6 ↓
Hi High (pH 8-9.5) 0.91 4.42 -7.13 1 4 0 39 223.32 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-2-yl]methyl]propan-2-amine N-[[1-[[(2S)-tetrahydrofuran-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) 0.70 5.35 -40.66 2 4 1 44 224.328 5 ↓
Hi High (pH 8-9.5) 0.70 4.12 -6.75 1 4 0 39 223.32 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-2-yl]methyl]propan-2-amine N-[[1-[[(2R)-tetrahydrofuran-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) 0.70 5.53 -35.05 2 4 1 44 224.328 5 ↓
Hi High (pH 8-9.5) 0.70 4.33 -7.17 1 4 0 39 223.32 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[1-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-2-yl]methyl]propan-2-amine 2-methyl-N-[[1-[[(2S)-tetrahydro…

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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) 1.22 5.78 -38.99 2 4 1 44 238.355 5 ↓
Hi High (pH 8-9.5) 1.22 4.54 -6.81 1 4 0 39 237.347 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[1-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-2-yl]methyl]propan-2-amine 2-methyl-N-[[1-[[(2R)-tetrahydro…

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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) 1.22 5.96 -33.7 2 4 1 44 238.355 5 ↓
Hi High (pH 8-9.5) 1.22 4.74 -7.15 1 4 0 39 237.347 5 ↓

Analogs

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Popular Name: 2-(chloromethyl)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazole 2-(chloromethyl)-1-[[(2S)-tetrah…

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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) 1.05 5.31 -8 0 3 0 27 200.669 3 ↓
Mid Mid (pH 6-8) 1.05 5.78 -29.08 1 3 1 28 201.677 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-1-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazole 2-(chloromethyl)-1-[[(2R)-tetrah…

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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) 1.05 5.51 -7.8 0 3 0 27 200.669 3 ↓
Mid Mid (pH 6-8) 1.05 5.99 -28.19 1 3 1 28 201.677 3 ↓

Analogs

36874592
36874592
21568636
21568636
21568639
21568639
21568731
21568731

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Popular Name: 2-[4,5-dimethyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)aceta 2-[4,5-dimethyl-1-[[(2S)-tetrahy…

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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) 0.49 5.4 -43.06 3 7 1 87 327.43 5 ↓
Mid Mid (pH 6-8) 0.49 4.96 -21.43 2 7 0 85 326.422 5 ↓

Analogs

21568636
21568636
21568639
21568639
21568731
21568731
36874591
36874591

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Popular Name: 2-[4,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)aceta 2-[4,5-dimethyl-1-[[(2R)-tetrahy…

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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) 0.49 5.36 -42.88 3 7 1 87 327.43 5 ↓
Mid Mid (pH 6-8) 0.49 4.91 -19.91 2 7 0 85 326.422 5 ↓

Analogs

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Popular Name: [(2R,5S)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methanamine [(2R,5S)-5-(imidazol-1-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) -0.84 3.73 -91.16 4 4 2 56 183.255 3 ↓
Mid Mid (pH 6-8) -0.84 3.22 -45.42 3 4 1 55 182.247 3 ↓

Analogs

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Popular Name: [(2R,5R)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methanamine [(2R,5R)-5-(imidazol-1-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) -0.84 3.8 -87.99 4 4 2 56 183.255 3 ↓
Mid Mid (pH 6-8) -0.84 3.28 -44.38 3 4 1 55 182.247 3 ↓

Analogs

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Popular Name: [(2S,5S)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methanamine [(2S,5S)-5-(imidazol-1-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) -0.84 3.74 -91.98 4 4 2 56 183.255 3 ↓
Mid Mid (pH 6-8) -0.84 3.23 -46.19 3 4 1 55 182.247 3 ↓

Analogs

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Popular Name: [(2S,5R)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methanamine [(2S,5R)-5-(imidazol-1-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) -0.84 3.68 -88.28 4 4 2 56 183.255 3 ↓
Mid Mid (pH 6-8) -0.84 3.16 -45.86 3 4 1 55 182.247 3 ↓

Analogs

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Popular Name: 1-[(2S,5R)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]-N-methyl-methanamine 1-[(2S,5R)-5-(imidazol-1-ylmethy…

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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) 0.14 5.56 -85.89 3 4 2 45 197.282 4 ↓
Mid Mid (pH 6-8) 0.14 5.05 -40.85 2 4 1 44 196.274 4 ↓

Analogs

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Popular Name: 1-[(2R,5R)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]-N-methyl-methanamine 1-[(2R,5R)-5-(imidazol-1-ylmethy…

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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) 0.14 5.66 -87.36 3 4 2 45 197.282 4 ↓
Mid Mid (pH 6-8) 0.14 5.14 -41.18 2 4 1 44 196.274 4 ↓

Analogs

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Popular Name: 1-[(2S,5S)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]-N-methyl-methanamine 1-[(2S,5S)-5-(imidazol-1-ylmethy…

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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) 0.14 5.64 -83.48 3 4 2 45 197.282 4 ↓
Mid Mid (pH 6-8) 0.14 5.13 -40.36 2 4 1 44 196.274 4 ↓

Analogs

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Popular Name: 1-[(2R,5S)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]-N-methyl-methanamine 1-[(2R,5S)-5-(imidazol-1-ylmethy…

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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) 0.14 5.59 -83.81 3 4 2 45 197.282 4 ↓
Mid Mid (pH 6-8) 0.14 5.08 -41.12 2 4 1 44 196.274 4 ↓

Analogs

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Popular Name: N-[[(2S,5R)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2S,5R)-5-(imidazol-1-ylmeth…

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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 6.42 -85.61 3 4 2 45 211.309 5 ↓
Mid Mid (pH 6-8) 0.17 5.91 -40.29 2 4 1 44 210.301 5 ↓

Analogs

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Popular Name: N-[[(2R,5R)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2R,5R)-5-(imidazol-1-ylmeth…

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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 6.51 -86.77 3 4 2 45 211.309 5 ↓
Mid Mid (pH 6-8) 0.17 5.99 -40.59 2 4 1 44 210.301 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2S,5S)-5-(imidazol-1-ylmeth…

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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 6.48 -83.11 3 4 2 45 211.309 5 ↓
Mid Mid (pH 6-8) 0.17 5.98 -39.69 2 4 1 44 210.301 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]ethanamine N-[[(2R,5S)-5-(imidazol-1-ylmeth…

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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 6.44 -83.34 3 4 2 45 211.309 5 ↓
Mid Mid (pH 6-8) 0.17 5.93 -40.51 2 4 1 44 210.301 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5R)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2S,5R)-5-(imidazol-1-ylmeth…

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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) 0.67 7.18 -87.16 3 4 2 45 225.336 6 ↓
Mid Mid (pH 6-8) 0.67 6.66 -41.15 2 4 1 44 224.328 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5R)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2R,5R)-5-(imidazol-1-ylmeth…

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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) 0.67 7.26 -88.38 3 4 2 45 225.336 6 ↓
Mid Mid (pH 6-8) 0.67 6.75 -41.41 2 4 1 44 224.328 6 ↓

Analogs

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Popular Name: N-[[(2S,5S)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2S,5S)-5-(imidazol-1-ylmeth…

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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) 0.67 7.24 -84.48 3 4 2 45 225.336 6 ↓
Mid Mid (pH 6-8) 0.67 6.73 -40.5 2 4 1 44 224.328 6 ↓

Analogs

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Popular Name: N-[[(2R,5S)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-1-amine N-[[(2R,5S)-5-(imidazol-1-ylmeth…

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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) 0.67 7.19 -84.78 3 4 2 45 225.336 6 ↓
Mid Mid (pH 6-8) 0.67 6.68 -41.33 2 4 1 44 224.328 6 ↓

Analogs

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Popular Name: N-[[(2S,5R)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2S,5R)-5-(imidazol-1-ylmeth…

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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) 0.81 6.95 -84.65 3 4 2 45 225.336 5 ↓
Mid Mid (pH 6-8) 0.81 6.43 -38.85 2 4 1 44 224.328 5 ↓

Analogs

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Popular Name: N-[[(2R,5R)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2R,5R)-5-(imidazol-1-ylmeth…

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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) 0.81 7.04 -86.14 3 4 2 45 225.336 5 ↓
Mid Mid (pH 6-8) 0.81 6.53 -39.76 2 4 1 44 224.328 5 ↓

Analogs

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Popular Name: N-[[(2S,5S)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2S,5S)-5-(imidazol-1-ylmeth…

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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) 0.81 7.01 -82.32 3 4 2 45 225.336 5 ↓
Mid Mid (pH 6-8) 0.81 6.5 -38.29 2 4 1 44 224.328 5 ↓

Analogs

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Popular Name: N-[[(2R,5S)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]propan-2-amine N-[[(2R,5S)-5-(imidazol-1-ylmeth…

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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) 0.81 6.98 -82.71 3 4 2 45 225.336 5 ↓
Mid Mid (pH 6-8) 0.81 6.46 -39.39 2 4 1 44 224.328 5 ↓

Analogs

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Popular Name: N-[[(2S,5R)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]-2-methyl-propan-2-amine N-[[(2S,5R)-5-(imidazol-1-ylmeth…

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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) 1.33 7.37 -83.96 3 4 2 45 239.363 5 ↓
Mid Mid (pH 6-8) 1.33 6.86 -37.66 2 4 1 44 238.355 5 ↓

Analogs

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Popular Name: N-[[(2R,5R)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]-2-methyl-propan-2-amine N-[[(2R,5R)-5-(imidazol-1-ylmeth…

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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) 1.33 7.47 -85.36 3 4 2 45 239.363 5 ↓
Mid Mid (pH 6-8) 1.33 6.95 -38.18 2 4 1 44 238.355 5 ↓

Analogs

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Popular Name: N-[[(2S,5S)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]-2-methyl-propan-2-amine N-[[(2S,5S)-5-(imidazol-1-ylmeth…

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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) 1.33 7.44 -81.58 3 4 2 45 239.363 5 ↓
Mid Mid (pH 6-8) 1.33 6.93 -37.43 2 4 1 44 238.355 5 ↓

Analogs

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Popular Name: N-[[(2R,5S)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]-2-methyl-propan-2-amine N-[[(2R,5S)-5-(imidazol-1-ylmeth…

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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) 1.33 7.4 -81.78 3 4 2 45 239.363 5 ↓
Mid Mid (pH 6-8) 1.33 6.89 -37.91 2 4 1 44 238.355 5 ↓

Analogs

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Popular Name: N-[[(2S,5R)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]-2-methyl-propan-1-amine N-[[(2S,5R)-5-(imidazol-1-ylmeth…

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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) 0.91 7.86 -87.47 3 4 2 45 239.363 6 ↓
Mid Mid (pH 6-8) 0.91 7.35 -41.23 2 4 1 44 238.355 6 ↓

Analogs

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Popular Name: N-[[(2R,5R)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]-2-methyl-propan-1-amine N-[[(2R,5R)-5-(imidazol-1-ylmeth…

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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) 0.91 7.94 -88.86 3 4 2 45 239.363 6 ↓
Mid Mid (pH 6-8) 0.91 7.43 -41.34 2 4 1 44 238.355 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,5S)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]-2-methyl-propan-1-amine N-[[(2S,5S)-5-(imidazol-1-ylmeth…

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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) 0.91 7.94 -84.87 3 4 2 45 239.363 6 ↓
Mid Mid (pH 6-8) 0.91 7.42 -40.66 2 4 1 44 238.355 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,5S)-5-(imidazol-1-ylmethyl)tetrahydrofuran-2-yl]methyl]-2-methyl-propan-1-amine N-[[(2R,5S)-5-(imidazol-1-ylmeth…

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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) 0.91 7.88 -85.22 3 4 2 45 239.363 6 ↓
Mid Mid (pH 6-8) 0.91 7.37 -41.36 2 4 1 44 238.355 6 ↓

Analogs

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Popular Name: [(2R,5S)-5-[(2-methylimidazol-1-yl)methyl]tetrahydrofuran-2-yl]methanamine [(2R,5S)-5-[(2-methylimidazol-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) -0.75 3.5 -85.35 4 4 2 56 197.282 3 ↓
Mid Mid (pH 6-8) -0.75 3.02 -46.64 3 4 1 55 196.274 3 ↓

Analogs

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Popular Name: [(2R,5R)-5-[(2-methylimidazol-1-yl)methyl]tetrahydrofuran-2-yl]methanamine [(2R,5R)-5-[(2-methylimidazol-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) -0.75 3.77 -87.63 4 4 2 56 197.282 3 ↓
Mid Mid (pH 6-8) -0.75 3.29 -45.36 3 4 1 55 196.274 3 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 45584 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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