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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

44651856
44651856
44652152
44652152

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(2-furyl)-1H-imidazol-2-yl]methanamine [5-(2-furyl)-1H-imidazol-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) 0.03 0.95 -51.14 4 4 1 69 164.188 2 ↓
Hi High (pH 8-9.5) 0.03 0.56 -10.51 3 4 0 68 163.18 2 ↓
Hi High (pH 8-9.5) 0.03 0.53 -7.76 3 4 0 68 163.18 2 ↓

Analogs

44651783
44651783
44651907
44651907

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(5-methyl-2-furyl)-1H-imidazol-2-yl]methanamine [5-(5-methyl-2-furyl)-1H-imidazo…

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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) 0.25 1.78 -51.34 4 4 1 69 178.215 2 ↓
Hi High (pH 8-9.5) 0.25 1.39 -8.92 3 4 0 68 177.207 2 ↓
Hi High (pH 8-9.5) 0.25 1.35 -6.83 3 4 0 68 177.207 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(2-furyl)-1H-imidazol-2-yl]ethanamine (1S)-1-[5-(2-furyl)-1H-imidazol-…

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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) -1.29 1.74 -54.42 4 4 1 69 178.215 2 ↓
Hi High (pH 8-9.5) -1.29 1.4 -8.3 3 4 0 68 177.207 2 ↓
Hi High (pH 8-9.5) -1.29 1.37 -6.42 3 4 0 68 177.207 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(2-furyl)-1H-imidazol-2-yl]ethanamine (1R)-1-[5-(2-furyl)-1H-imidazol-…

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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) -1.29 1.45 -47.65 4 4 1 69 178.215 2 ↓
Hi High (pH 8-9.5) -1.29 1.14 -10.16 3 4 0 68 177.207 2 ↓
Hi High (pH 8-9.5) -1.29 1.1 -7.51 3 4 0 68 177.207 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]ethanamine (1R)-1-[5-(5-methyl-2-furyl)-1H-…

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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) -1.07 2.28 -47.87 4 4 1 69 192.242 2 ↓
Hi High (pH 8-9.5) -1.07 1.97 -8.25 3 4 0 68 191.234 2 ↓
Hi High (pH 8-9.5) -1.07 1.94 -5.87 3 4 0 68 191.234 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]ethanamine (1S)-1-[5-(5-methyl-2-furyl)-1H-…

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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) -1.07 2.56 -54.62 4 4 1 69 192.242 2 ↓
Hi High (pH 8-9.5) -1.07 2.23 -8.43 3 4 0 68 191.234 2 ↓
Hi High (pH 8-9.5) -1.07 2.16 -6.49 3 4 0 68 191.234 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(2-furyl)-1H-imidazol-2-yl]propan-1-amine (1S)-1-[5-(2-furyl)-1H-imidazol-…

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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 2.55 -53.58 4 4 1 69 192.242 3 ↓
Hi High (pH 8-9.5) -0.79 2.24 -8.52 3 4 0 68 191.234 3 ↓
Hi High (pH 8-9.5) -0.79 2.21 -6.11 3 4 0 68 191.234 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(2-furyl)-1H-imidazol-2-yl]propan-1-amine (1R)-1-[5-(2-furyl)-1H-imidazol-…

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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 2.27 -46.54 4 4 1 69 192.242 3 ↓
Hi High (pH 8-9.5) -0.79 1.95 -8.55 3 4 0 68 191.234 3 ↓
Hi High (pH 8-9.5) -0.79 1.91 -6.44 3 4 0 68 191.234 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]propan-1-amine (1S)-1-[5-(5-methyl-2-furyl)-1H-…

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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) -0.56 3.37 -53.69 4 4 1 69 206.269 3 ↓
Hi High (pH 8-9.5) -0.56 3.02 -8.31 3 4 0 68 205.261 3 ↓
Hi High (pH 8-9.5) -0.56 3.03 -6.09 3 4 0 68 205.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]propan-1-amine (1R)-1-[5-(5-methyl-2-furyl)-1H-…

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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) -0.56 3.09 -46.72 4 4 1 69 206.269 3 ↓
Hi High (pH 8-9.5) -0.56 2.8 -8.02 3 4 0 68 205.261 3 ↓
Hi High (pH 8-9.5) -0.56 2.74 -6.51 3 4 0 68 205.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(2-furyl)-1H-imidazol-2-yl]butan-1-amine (1S)-1-[5-(2-furyl)-1H-imidazol-…

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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) -0.23 3.32 -54.93 4 4 1 69 206.269 4 ↓
Hi High (pH 8-9.5) -0.23 2.97 -8.18 3 4 0 68 205.261 4 ↓
Hi High (pH 8-9.5) -0.23 2.93 -6.24 3 4 0 68 205.261 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(2-furyl)-1H-imidazol-2-yl]butan-1-amine (1R)-1-[5-(2-furyl)-1H-imidazol-…

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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) -0.23 3.04 -47.9 4 4 1 69 206.269 4 ↓
Hi High (pH 8-9.5) -0.23 2.75 -7.78 3 4 0 68 205.261 4 ↓
Hi High (pH 8-9.5) -0.23 2.72 -5.56 3 4 0 68 205.261 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]butan-1-amine (1S)-1-[5-(5-methyl-2-furyl)-1H-…

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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) 0.00 4.15 -55.03 4 4 1 69 220.296 4 ↓
Hi High (pH 8-9.5) 0.00 3.84 -8.55 3 4 0 68 219.288 4 ↓
Hi High (pH 8-9.5) 0.00 3.8 -6.05 3 4 0 68 219.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]butan-1-amine (1R)-1-[5-(5-methyl-2-furyl)-1H-…

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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) 0.00 3.86 -48.03 4 4 1 69 220.296 4 ↓
Hi High (pH 8-9.5) 0.00 3.53 -8.61 3 4 0 68 219.288 4 ↓
Hi High (pH 8-9.5) 0.00 3.5 -6.43 3 4 0 68 219.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-(2-furyl)-1H-imidazol-2-yl]propan-1-amine 3-[5-(2-furyl)-1H-imidazol-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) 0.10 2.44 -49.76 4 4 1 69 192.242 4 ↓
Mid Mid (pH 6-8) 0.10 2.42 -47.89 4 4 1 69 192.242 4 ↓
Mid Mid (pH 6-8) 0.10 2.86 -98.66 5 4 2 71 193.25 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]propan-1-amine 3-[5-(5-methyl-2-furyl)-1H-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) 0.32 3.28 -49.93 4 4 1 69 206.269 4 ↓
Mid Mid (pH 6-8) 0.32 3.24 -47.96 4 4 1 69 206.269 4 ↓
Mid Mid (pH 6-8) 0.32 3.7 -98.85 5 4 2 71 207.277 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(2-furyl)-1H-imidazol-2-yl]ethanamine 2-[5-(2-furyl)-1H-imidazol-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) -0.17 1.68 -51.47 4 4 1 69 178.215 3 ↓
Lo Low (pH 4.5-6) -0.17 2.1 -107.7 5 4 2 71 179.223 3 ↓
Lo Low (pH 4.5-6) -0.17 2.08 -107.36 5 4 2 71 179.223 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]ethanamine 2-[5-(5-methyl-2-furyl)-1H-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) 0.05 2.51 -51.65 4 4 1 69 192.242 3 ↓
Lo Low (pH 4.5-6) 0.05 2.92 -108.03 5 4 2 71 193.25 3 ↓
Lo Low (pH 4.5-6) 0.05 2.92 -107.65 5 4 2 71 193.25 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[5-(2-furyl)-1H-imidazol-2-yl]pentan-1-amine 5-[5-(2-furyl)-1H-imidazol-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) 0.88 4.44 -87.72 5 4 2 71 221.304 6 ↓
Mid Mid (pH 6-8) 0.88 3.99 -46.57 4 4 1 69 220.296 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]pentan-1-amine 5-[5-(5-methyl-2-furyl)-1H-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) 1.10 5.26 -87.85 5 4 2 71 235.331 6 ↓
Mid Mid (pH 6-8) 1.10 4.81 -46.64 4 4 1 69 234.323 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(2-furyl)-1H-imidazol-2-yl]-3-methyl-butan-1-amine (1S)-1-[5-(2-furyl)-1H-imidazol-…

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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 3.83 -55.27 4 4 1 69 220.296 4 ↓
Hi High (pH 8-9.5) -0.01 3.53 -8.46 3 4 0 68 219.288 4 ↓
Hi High (pH 8-9.5) -0.01 3.5 -5.96 3 4 0 68 219.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(2-furyl)-1H-imidazol-2-yl]-3-methyl-butan-1-amine (1R)-1-[5-(2-furyl)-1H-imidazol-…

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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 3.52 -47.66 4 4 1 69 220.296 4 ↓
Hi High (pH 8-9.5) -0.01 3.2 -8.29 3 4 0 68 219.288 4 ↓
Hi High (pH 8-9.5) -0.01 3.17 -6.18 3 4 0 68 219.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-3-methyl-1-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]butan-1-amine (1R)-3-methyl-1-[5-(5-methyl-2-f…

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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) 0.21 4.31 -44.95 4 4 1 69 234.323 4 ↓
Hi High (pH 8-9.5) 0.21 4.03 -8.36 3 4 0 68 233.315 4 ↓
Lo Low (pH 4.5-6) 0.21 4.91 -115.68 5 4 2 71 235.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-3-methyl-1-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]butan-1-amine (1S)-3-methyl-1-[5-(5-methyl-2-f…

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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) 0.21 4.59 -49.57 4 4 1 69 234.323 4 ↓
Hi High (pH 8-9.5) 0.21 4.37 -8.5 3 4 0 68 233.315 4 ↓
Lo Low (pH 4.5-6) 0.21 4.97 -118.87 5 4 2 71 235.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(2-furyl)-1H-imidazol-2-yl]-2-methyl-propan-1-amine (1S)-1-[5-(2-furyl)-1H-imidazol-…

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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) -0.54 3.61 -53.91 4 4 1 69 206.269 3 ↓
Hi High (pH 8-9.5) -0.54 3.25 -7.49 3 4 0 68 205.261 3 ↓
Hi High (pH 8-9.5) -0.54 3.23 -5.73 3 4 0 68 205.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(2-furyl)-1H-imidazol-2-yl]-2-methyl-propan-1-amine (1R)-1-[5-(2-furyl)-1H-imidazol-…

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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) -0.54 3.39 -46.44 4 4 1 69 206.269 3 ↓
Hi High (pH 8-9.5) -0.54 3.09 -7.23 3 4 0 68 205.261 3 ↓
Hi High (pH 8-9.5) -0.54 3.09 -5.11 3 4 0 68 205.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-methyl-1-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]propan-1-amine (1R)-2-methyl-1-[5-(5-methyl-2-f…

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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) -0.32 3.34 -47.16 4 4 1 69 220.296 3 ↓
Hi High (pH 8-9.5) -0.32 3.03 -8.49 3 4 0 68 219.288 3 ↓
Hi High (pH 8-9.5) -0.32 3.03 -5.49 3 4 0 68 219.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-methyl-1-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]propan-1-amine (1S)-2-methyl-1-[5-(5-methyl-2-f…

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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) -0.32 3.74 -53.59 4 4 1 69 220.296 3 ↓
Hi High (pH 8-9.5) -0.32 3.42 -8.53 3 4 0 68 219.288 3 ↓
Hi High (pH 8-9.5) -0.32 3.32 -6.25 3 4 0 68 219.288 3 ↓

Analogs

44651783
44651783
44651856
44651856
44651907
44651907
44652152
44652152

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(2-furyl)-1H-imidazol-2-yl]-N-methyl-methanamine 1-[5-(2-furyl)-1H-imidazol-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) 0.40 2.82 -45.42 3 4 1 58 178.215 3 ↓
Hi High (pH 8-9.5) 0.41 1.39 -8.32 2 4 0 54 177.207 3 ↓
Hi High (pH 8-9.5) 0.40 1.36 -6.28 2 4 0 54 177.207 3 ↓

Analogs

44651783
44651783
44651856
44651856
44651907
44651907
44652152
44652152

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]methanamine N-methyl-1-[5-(5-methyl-2-furyl)…

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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) 0.63 3.65 -45.63 3 4 1 58 192.242 3 ↓
Hi High (pH 8-9.5) 0.63 2.22 -9.97 2 4 0 54 191.234 3 ↓
Hi High (pH 8-9.5) 0.63 2.19 -7.16 2 4 0 54 191.234 3 ↓

Analogs

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Popular Name: (1S,2R)-1-[5-(2-furyl)-1H-imidazol-2-yl]-2-methyl-butan-1-amine (1S,2R)-1-[5-(2-furyl)-1H-imidaz…

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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) -0.04 3.53 -54.74 4 4 1 69 220.296 4 ↓
Hi High (pH 8-9.5) -0.04 3.23 -8.38 3 4 0 68 219.288 4 ↓
Hi High (pH 8-9.5) -0.04 3.19 -5.84 3 4 0 68 219.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-[5-(2-furyl)-1H-imidazol-2-yl]-2-methyl-butan-1-amine (1S,2S)-1-[5-(2-furyl)-1H-imidaz…

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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) -0.04 4.24 -54.92 4 4 1 69 220.296 4 ↓
Hi High (pH 8-9.5) -0.04 3.96 -7.76 3 4 0 68 219.288 4 ↓
Hi High (pH 8-9.5) -0.04 3.93 -5.47 3 4 0 68 219.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-[5-(2-furyl)-1H-imidazol-2-yl]-2-methyl-butan-1-amine (1R,2R)-1-[5-(2-furyl)-1H-imidaz…

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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) -0.04 3.15 -48.04 4 4 1 69 220.296 4 ↓
Hi High (pH 8-9.5) -0.04 2.86 -8.36 3 4 0 68 219.288 4 ↓
Hi High (pH 8-9.5) -0.04 2.83 -6.31 3 4 0 68 219.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-[5-(2-furyl)-1H-imidazol-2-yl]-2-methyl-butan-1-amine (1R,2S)-1-[5-(2-furyl)-1H-imidaz…

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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) -0.04 4.02 -47.61 4 4 1 69 220.296 4 ↓
Hi High (pH 8-9.5) -0.04 3.72 -7.79 3 4 0 68 219.288 4 ↓
Hi High (pH 8-9.5) -0.04 3.71 -5.83 3 4 0 68 219.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-methyl-1-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]butan-1-amine (1S,2R)-2-methyl-1-[5-(5-methyl-…

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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) 0.18 4.31 -49.23 4 4 1 69 234.323 4 ↓
Hi High (pH 8-9.5) 0.18 4.01 -8.16 3 4 0 68 233.315 4 ↓
Lo Low (pH 4.5-6) 0.18 4.92 -116.66 5 4 2 71 235.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methyl-1-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]butan-1-amine (1S,2S)-2-methyl-1-[5-(5-methyl-…

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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) 0.18 5.02 -49.47 4 4 1 69 234.323 4 ↓
Hi High (pH 8-9.5) 0.18 4.72 -7.49 3 4 0 68 233.315 4 ↓
Lo Low (pH 4.5-6) 0.18 4.8 -117.81 5 4 2 71 235.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-1-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]butan-1-amine (1R,2R)-2-methyl-1-[5-(5-methyl-…

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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) 0.18 3.95 -45.14 4 4 1 69 234.323 4 ↓
Hi High (pH 8-9.5) 0.18 3.73 -7.69 3 4 0 68 233.315 4 ↓
Lo Low (pH 4.5-6) 0.18 4.79 -114.38 5 4 2 71 235.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-1-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]butan-1-amine (1R,2S)-2-methyl-1-[5-(5-methyl-…

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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) 0.18 4.83 -44.64 4 4 1 69 234.323 4 ↓
Hi High (pH 8-9.5) 0.18 4.56 -7.22 3 4 0 68 233.315 4 ↓
Lo Low (pH 4.5-6) 0.18 4.93 -114.06 5 4 2 71 235.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(2-furyl)-1H-imidazol-2-yl]-3-methylsulfonyl-propan-1-amine (1S)-1-[5-(2-furyl)-1H-imidazol-…

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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) -1.99 0.06 -70.46 4 6 1 104 270.334 5 ↓
Hi High (pH 8-9.5) -1.99 -0.24 -21.76 3 6 0 102 269.326 5 ↓
Mid Mid (pH 6-8) -1.99 0.16 -43.88 4 6 1 103 270.334 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(2-furyl)-1H-imidazol-2-yl]-3-methylsulfonyl-propan-1-amine (1R)-1-[5-(2-furyl)-1H-imidazol-…

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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) -1.99 -0.21 -65.78 4 6 1 104 270.334 5 ↓
Hi High (pH 8-9.5) -1.99 -0.46 -20.53 3 6 0 102 269.326 5 ↓
Mid Mid (pH 6-8) -1.99 0.11 -44.76 4 6 1 103 270.334 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]-3-methylsulfonyl-propan-1-amine (1R)-1-[5-(5-methyl-2-furyl)-1H-…

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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) -1.77 0.61 -65.74 4 6 1 104 284.361 5 ↓
Hi High (pH 8-9.5) -1.77 0.33 -22.55 3 6 0 102 283.353 5 ↓
Mid Mid (pH 6-8) -1.77 0.93 -44.78 4 6 1 103 284.361 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]-3-methylsulfonyl-propan-1-amine (1S)-1-[5-(5-methyl-2-furyl)-1H-…

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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) -1.77 0.88 -70.2 4 6 1 104 284.361 5 ↓
Hi High (pH 8-9.5) -1.77 0.63 -20.96 3 6 0 102 283.353 5 ↓
Mid Mid (pH 6-8) -1.77 0.98 -43.91 4 6 1 103 284.361 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[5-(2-furyl)-1H-imidazol-2-yl]hexan-1-amine 6-[5-(2-furyl)-1H-imidazol-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) 1.38 5.22 -84.63 5 4 2 71 235.331 7 ↓
Mid Mid (pH 6-8) 1.38 4.77 -46.49 4 4 1 69 234.323 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]hexan-1-amine 6-[5-(5-methyl-2-furyl)-1H-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) 1.60 6.05 -84.76 5 4 2 71 249.358 7 ↓
Mid Mid (pH 6-8) 1.60 5.59 -46.52 4 4 1 69 248.35 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-(2-furyl)-1H-imidazol-2-yl]butan-1-amine 4-[5-(2-furyl)-1H-imidazol-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) 0.37 3.66 -92.49 5 4 2 71 207.277 5 ↓
Mid Mid (pH 6-8) 0.37 3.21 -47.69 4 4 1 69 206.269 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]butan-1-amine 4-[5-(5-methyl-2-furyl)-1H-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) 0.59 4.48 -92.66 5 4 2 71 221.304 5 ↓
Mid Mid (pH 6-8) 0.59 4.03 -47.66 4 4 1 69 220.296 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[5-(2-furyl)-1H-imidazol-2-yl]butan-2-amine (2S)-4-[5-(2-furyl)-1H-imidazol-…

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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) 0.50 3.6 -104.7 5 4 2 71 207.277 4 ↓
Mid Mid (pH 6-8) 0.50 3.15 -49.97 4 4 1 69 206.269 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[5-(2-furyl)-1H-imidazol-2-yl]butan-2-amine (2R)-4-[5-(2-furyl)-1H-imidazol-…

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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) 0.50 3.6 -102.78 5 4 2 71 207.277 4 ↓
Mid Mid (pH 6-8) 0.50 3.15 -47.92 4 4 1 69 206.269 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]butan-2-amine (2R)-4-[5-(5-methyl-2-furyl)-1H-…

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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) 0.72 4.43 -102.96 5 4 2 71 221.304 4 ↓
Mid Mid (pH 6-8) 0.72 3.97 -47.97 4 4 1 69 220.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[5-(5-methyl-2-furyl)-1H-imidazol-2-yl]butan-2-amine (2S)-4-[5-(5-methyl-2-furyl)-1H-…

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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) 0.72 4.43 -105.01 5 4 2 71 221.304 4 ↓
Mid Mid (pH 6-8) 0.72 3.97 -49.9 4 4 1 69 220.296 4 ↓

Parameters Provided:

ring.id = 25541
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 = 25541 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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