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

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Popular Name: N-(3-furylmethyl)-1-(5-methyl-2-furyl)methanamine N-(3-furylmethyl)-1-(5-methyl-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 5.18 -40.95 2 3 1 43 192.238 4 ↓
Hi High (pH 8-9.5) 1.32 3.81 -5.86 1 3 0 38 191.23 4 ↓

Analogs

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Popular Name: N-[[2-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-3-furyl]methyl]ethanamine N-[[2-[[methyl-[(2-methyl-3-fury…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.43 7.84 -112.6 3 4 2 47 264.369 7 ↓
Mid Mid (pH 6-8) 1.43 5.52 -43.73 2 4 1 46 263.361 7 ↓

Analogs

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Popular Name: N-[[2-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-3-furyl]methyl]propan-1-amine N-[[2-[[methyl-[(2-methyl-3-fury…

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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) 1.93 8.61 -114.61 3 4 2 47 278.396 8 ↓
Mid Mid (pH 6-8) 1.93 6.26 -44.57 2 4 1 46 277.388 8 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-3-furyl]methyl]propan-2-amine 2-methyl-N-[[2-[[methyl-[(2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.24 8.84 -109.58 3 4 2 47 292.423 7 ↓
Mid Mid (pH 6-8) 2.24 6.5 -40.01 2 4 1 46 291.415 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-3-furyl]methyl]propan-1-amine 2-methyl-N-[[2-[[methyl-[(2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.17 9.34 -114.73 3 4 2 47 292.423 8 ↓
Mid Mid (pH 6-8) 2.17 6.99 -44.63 2 4 1 46 291.415 8 ↓

Analogs

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Popular Name: N-methyl-1-(2-methyl-3-furyl)-N-[[5-methyl-4-(methylaminomethyl)-2-furyl]methyl]methanamine N-methyl-1-(2-methyl-3-furyl)-N-…

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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) 1.27 7.86 -94.21 3 4 2 47 264.369 6 ↓
Hi High (pH 8-9.5) 1.27 5.58 -41.1 2 4 1 46 263.361 6 ↓

Analogs

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Popular Name: N-[[2-methyl-5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-3-furyl]methyl]ethanamine N-[[2-methyl-5-[[methyl-[(2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.65 8.68 -93.96 3 4 2 47 278.396 7 ↓
Hi High (pH 8-9.5) 1.65 6.36 -40.2 2 4 1 46 277.388 7 ↓

Analogs

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Popular Name: N-[[2-methyl-5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-3-furyl]methyl]propan-1-amine N-[[2-methyl-5-[[methyl-[(2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.15 9.43 -95.5 3 4 2 47 292.423 8 ↓
Hi High (pH 8-9.5) 2.15 7.1 -41.03 2 4 1 46 291.415 8 ↓

Analogs

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Popular Name: N-[[2-methyl-5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-3-furyl]methyl]propan-2-amine N-[[2-methyl-5-[[methyl-[(2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.95 9.27 -93.23 3 4 2 47 292.423 7 ↓
Hi High (pH 8-9.5) 1.95 6.98 -38.61 2 4 1 46 291.415 7 ↓

Analogs

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Popular Name: N-methyl-N-[[5-(methylaminomethyl)-2-furyl]methyl]-1-(2-methyl-3-furyl)methanamine N-methyl-N-[[5-(methylaminomethy…

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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) 1.36 7.11 -92.87 3 4 2 47 250.342 6 ↓
Mid Mid (pH 6-8) 1.36 4.76 -40.94 2 4 1 46 249.334 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-2-furyl]methyl]ethanamine N-[[5-[[methyl-[(2-methyl-3-fury…

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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) 1.74 7.94 -92.77 3 4 2 47 264.369 7 ↓
Mid Mid (pH 6-8) 1.74 5.58 -39.93 2 4 1 46 263.361 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-2-furyl]methyl]propan-1-amine N-[[5-[[methyl-[(2-methyl-3-fury…

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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) 2.24 8.7 -94.24 3 4 2 47 278.396 8 ↓
Mid Mid (pH 6-8) 2.24 6.33 -40.78 2 4 1 46 277.388 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-2-furyl]methyl]propan-2-amine N-[[5-[[methyl-[(2-methyl-3-fury…

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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) 2.04 8.48 -91.72 3 4 2 47 278.396 7 ↓
Mid Mid (pH 6-8) 2.04 6.13 -38.26 2 4 1 46 277.388 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-2-furyl]methyl]propan-2-amine 2-methyl-N-[[5-[[methyl-[(2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.55 8.9 -90.52 3 4 2 47 292.423 7 ↓
Mid Mid (pH 6-8) 2.55 6.56 -36.62 2 4 1 46 291.415 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-2-furyl]methyl]propan-1-amine 2-methyl-N-[[5-[[methyl-[(2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.48 9.41 -94.75 3 4 2 47 292.423 8 ↓
Mid Mid (pH 6-8) 2.48 7.06 -40.72 2 4 1 46 291.415 8 ↓

Analogs

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Popular Name: N-[[5-(aminomethyl)-2-furyl]methyl]-N-methyl-1-(2-methyl-3-furyl)methanamine N-[[5-(aminomethyl)-2-furyl]meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.99 5.24 -97.85 4 4 2 58 236.315 5 ↓
Mid Mid (pH 6-8) 0.99 2.88 -46.42 3 4 1 57 235.307 5 ↓

Analogs

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Popular Name: N-[[4-(aminomethyl)-5-methyl-2-furyl]methyl]-N-methyl-1-(2-methyl-3-furyl)methanamine N-[[4-(aminomethyl)-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) 0.90 5.87 -98.46 4 4 2 58 250.342 5 ↓
Hi High (pH 8-9.5) 0.90 3.53 -46.3 3 4 1 57 249.334 5 ↓

Analogs

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Popular Name: [3-methyl-5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-2-furyl]methanamine [3-methyl-5-[[methyl-[(2-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) 1.36 5.83 -98.06 4 4 2 58 250.342 5 ↓
Mid Mid (pH 6-8) 1.36 3.46 -46.71 3 4 1 57 249.334 5 ↓

Analogs

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Popular Name: N-[[4-(aminomethyl)-2-furyl]methyl]-N-methyl-1-(2-methyl-3-furyl)methanamine N-[[4-(aminomethyl)-2-furyl]meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.68 5.18 -97.8 4 4 2 58 236.315 5 ↓
Mid Mid (pH 6-8) 0.68 2.89 -46.56 3 4 1 57 235.307 5 ↓

Analogs

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Popular Name: N-methyl-N-[[4-(methylaminomethyl)-2-furyl]methyl]-1-(2-methyl-3-furyl)methanamine N-methyl-N-[[4-(methylaminomethy…

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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 7.05 -93.36 3 4 2 47 250.342 6 ↓
Mid Mid (pH 6-8) 1.05 4.77 -41.41 2 4 1 46 249.334 6 ↓

Analogs

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Popular Name: N-[[5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-3-furyl]methyl]ethanamine N-[[5-[[methyl-[(2-methyl-3-fury…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.43 7.86 -94.48 3 4 2 47 264.369 7 ↓
Mid Mid (pH 6-8) 1.43 5.54 -39.88 2 4 1 46 263.361 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-3-furyl]methyl]propan-1-amine N-[[5-[[methyl-[(2-methyl-3-fury…

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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) 1.93 8.62 -96.05 3 4 2 47 278.396 8 ↓
Mid Mid (pH 6-8) 1.93 6.28 -40.7 2 4 1 46 277.388 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-3-furyl]methyl]propan-2-amine N-[[5-[[methyl-[(2-methyl-3-fury…

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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) 1.73 8.44 -92.47 3 4 2 47 278.396 7 ↓
Mid Mid (pH 6-8) 1.73 6.15 -39.32 2 4 1 46 277.388 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-3-furyl]methyl]propan-2-amine 2-methyl-N-[[5-[[methyl-[(2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.24 8.87 -91.66 3 4 2 47 292.423 7 ↓
Mid Mid (pH 6-8) 2.24 6.58 -37.7 2 4 1 46 291.415 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-3-furyl]methyl]propan-1-amine 2-methyl-N-[[5-[[methyl-[(2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.17 9.36 -95.36 3 4 2 47 292.423 8 ↓
Mid Mid (pH 6-8) 2.17 7.07 -41.55 2 4 1 46 291.415 8 ↓

Analogs

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Popular Name: N-methyl-1-[3-methyl-5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-2-furyl]methanamine N-methyl-1-[3-methyl-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) 1.74 7.71 -92.95 3 4 2 47 264.369 6 ↓
Mid Mid (pH 6-8) 1.74 5.34 -41.02 2 4 1 46 263.361 6 ↓

Analogs

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Popular Name: N-[[3-methyl-5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-2-furyl]methyl]ethanamine N-[[3-methyl-5-[[methyl-[(2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.12 8.56 -92.71 3 4 2 47 278.396 7 ↓
Mid Mid (pH 6-8) 2.12 6.2 -39.98 2 4 1 46 277.388 7 ↓

Analogs

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Popular Name: N-[[3-methyl-5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-2-furyl]methyl]propan-1-amine N-[[3-methyl-5-[[methyl-[(2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.62 9.32 -94.1 3 4 2 47 292.423 8 ↓
Mid Mid (pH 6-8) 2.62 6.95 -40.77 2 4 1 46 291.415 8 ↓

Analogs

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Popular Name: N-[[3-methyl-5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-2-furyl]methyl]propan-2-amine N-[[3-methyl-5-[[methyl-[(2-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.41 9.1 -91.68 3 4 2 47 292.423 7 ↓
Mid Mid (pH 6-8) 2.41 6.73 -38.15 2 4 1 46 291.415 7 ↓

Analogs

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Popular Name: N-methyl-N-[[2-(methylaminomethyl)-3-furyl]methyl]-1-(5-methyl-2-furyl)methanamine N-methyl-N-[[2-(methylaminomethy…

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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) 1.36 7.32 -109.16 3 4 2 47 250.342 6 ↓
Mid Mid (pH 6-8) 1.36 4.81 -38.69 2 4 1 46 249.334 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[methyl-[(5-methyl-2-furyl)methyl]amino]methyl]-2-furyl]methyl]ethanamine N-[[3-[[methyl-[(5-methyl-2-fury…

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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) 1.74 8.21 -109.01 3 4 2 47 264.369 7 ↓
Mid Mid (pH 6-8) 1.74 5.72 -37.93 2 4 1 46 263.361 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[methyl-[(5-methyl-2-furyl)methyl]amino]methyl]-2-furyl]methyl]propan-1-amine N-[[3-[[methyl-[(5-methyl-2-fury…

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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) 2.24 8.98 -110.94 3 4 2 47 278.396 8 ↓
Mid Mid (pH 6-8) 2.24 6.47 -38.39 2 4 1 46 277.388 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[[methyl-[(5-methyl-2-furyl)methyl]amino]methyl]-2-furyl]methyl]propan-2-amine N-[[3-[[methyl-[(5-methyl-2-fury…

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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) 2.04 8.72 -108.45 3 4 2 47 278.396 7 ↓
Mid Mid (pH 6-8) 2.04 6.02 -35.75 2 4 1 46 277.388 7 ↓

Analogs

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Popular Name: N-[[2-(aminomethyl)-3-furyl]methyl]-N-methyl-1-(5-methyl-2-furyl)methanamine N-[[2-(aminomethyl)-3-furyl]meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.99 5.47 -115.25 4 4 2 58 236.315 5 ↓
Mid Mid (pH 6-8) 0.99 2.92 -43.69 3 4 1 57 235.307 5 ↓

Analogs

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Popular Name: N-[[5-(aminomethyl)-2-methyl-3-furyl]methyl]-N-methyl-1-(5-methyl-2-furyl)methanamine N-[[5-(aminomethyl)-2-methyl-3-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) 1.21 6.12 -96.53 4 4 2 58 250.342 5 ↓
Hi High (pH 8-9.5) 1.21 3.79 -46.38 3 4 1 57 249.334 5 ↓

Analogs

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Popular Name: N-methyl-1-(5-methyl-2-furyl)-N-[[2-methyl-5-(methylaminomethyl)-3-furyl]methyl]methanamine N-methyl-1-(5-methyl-2-furyl)-N-…

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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) 1.58 7.99 -91.8 3 4 2 47 264.369 6 ↓
Hi High (pH 8-9.5) 1.58 5.66 -40.87 2 4 1 46 263.361 6 ↓

Analogs

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Popular Name: N-[[5-methyl-4-[[methyl-[(5-methyl-2-furyl)methyl]amino]methyl]-2-furyl]methyl]ethanamine N-[[5-methyl-4-[[methyl-[(5-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.96 8.85 -91.68 3 4 2 47 278.396 7 ↓
Hi High (pH 8-9.5) 1.96 6.55 -39.86 2 4 1 46 277.388 7 ↓

Analogs

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Popular Name: N-[[5-methyl-4-[[methyl-[(5-methyl-2-furyl)methyl]amino]methyl]-2-furyl]methyl]propan-1-amine N-[[5-methyl-4-[[methyl-[(5-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 9.59 -93.12 3 4 2 47 292.423 8 ↓
Hi High (pH 8-9.5) 2.46 7.3 -40.68 2 4 1 46 291.415 8 ↓

Analogs

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Popular Name: N-[[5-methyl-4-[[methyl-[(5-methyl-2-furyl)methyl]amino]methyl]-2-furyl]methyl]propan-2-amine N-[[5-methyl-4-[[methyl-[(5-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.26 9.37 -90.44 3 4 2 47 292.423 7 ↓
Hi High (pH 8-9.5) 2.26 7.03 -38.22 2 4 1 46 291.415 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[3-[[methyl-[(5-methyl-2-furyl)methyl]amino]methyl]-2-furyl]methyl]propan-1-amine 2-methyl-N-[[3-[[methyl-[(5-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.48 9.69 -110.56 3 4 2 47 292.423 8 ↓
Mid Mid (pH 6-8) 2.48 6.97 -37.61 2 4 1 46 291.415 8 ↓

Analogs

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Popular Name: 2-methyl-N-[[3-[[methyl-[(5-methyl-2-furyl)methyl]amino]methyl]-2-furyl]methyl]propan-2-amine 2-methyl-N-[[3-[[methyl-[(5-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.55 9.09 -105.57 3 4 2 47 292.423 7 ↓
Mid Mid (pH 6-8) 2.55 6.53 -34.06 2 4 1 46 291.415 7 ↓

Analogs

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Popular Name: 1-[3-[[2-furylmethyl(methyl)amino]methyl]-2-furyl]-N-methyl-methanamine 1-[3-[[2-furylmethyl(methyl)amin…

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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) 1.14 6.25 -106.73 3 4 2 47 236.315 6 ↓
Mid Mid (pH 6-8) 1.14 3.9 -39.9 2 4 1 46 235.307 6 ↓

Analogs

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Popular Name: N-[[3-[[2-furylmethyl(methyl)amino]methyl]-2-furyl]methyl]ethanamine N-[[3-[[2-furylmethyl(methyl)ami…

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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) 1.52 7.11 -107 3 4 2 47 250.342 7 ↓
Mid Mid (pH 6-8) 1.52 4.76 -38.58 2 4 1 46 249.334 7 ↓

Analogs

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Popular Name: N-[[3-[[2-furylmethyl(methyl)amino]methyl]-2-furyl]methyl]propan-1-amine N-[[3-[[2-furylmethyl(methyl)ami…

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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) 2.02 7.87 -108.8 3 4 2 47 264.369 8 ↓
Mid Mid (pH 6-8) 2.02 5.51 -39.36 2 4 1 46 263.361 8 ↓

Analogs

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Popular Name: N-[[3-[[2-furylmethyl(methyl)amino]methyl]-2-furyl]methyl]propan-2-amine N-[[3-[[2-furylmethyl(methyl)ami…

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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) 1.81 7.64 -104.77 3 4 2 47 264.369 7 ↓
Mid Mid (pH 6-8) 1.81 5.28 -36.88 2 4 1 46 263.361 7 ↓

Analogs

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Popular Name: 1-[2-(aminomethyl)-3-furyl]-N-(2-furylmethyl)-N-methyl-methanamine 1-[2-(aminomethyl)-3-furyl]-N-(2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.77 4.38 -112.65 4 4 2 58 222.288 5 ↓
Mid Mid (pH 6-8) 0.77 2.03 -45.43 3 4 1 57 221.28 5 ↓

Analogs

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Popular Name: [4-[[2-furylmethyl(methyl)amino]methyl]-5-methyl-2-furyl]methanamine [4-[[2-furylmethyl(methyl)amino]…

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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) 0.99 5.24 -98.13 4 4 2 58 236.315 5 ↓
Mid Mid (pH 6-8) 0.99 2.88 -45.8 3 4 1 57 235.307 5 ↓

Analogs

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Popular Name: 1-[4-[[2-furylmethyl(methyl)amino]methyl]-5-methyl-2-furyl]-N-methyl-methanamine 1-[4-[[2-furylmethyl(methyl)amin…

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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) 1.36 7.11 -93.31 3 4 2 47 250.342 6 ↓
Mid Mid (pH 6-8) 1.36 4.76 -40.3 2 4 1 46 249.334 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[2-furylmethyl(methyl)amino]methyl]-5-methyl-2-furyl]methyl]ethanamine N-[[4-[[2-furylmethyl(methyl)ami…

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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) 1.74 7.96 -93.13 3 4 2 47 264.369 7 ↓
Mid Mid (pH 6-8) 1.74 5.6 -39.46 2 4 1 46 263.361 7 ↓

Analogs

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Popular Name: N-[[4-[[2-furylmethyl(methyl)amino]methyl]-5-methyl-2-furyl]methyl]propan-1-amine N-[[4-[[2-furylmethyl(methyl)ami…

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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) 2.24 8.71 -94.66 3 4 2 47 278.396 8 ↓
Mid Mid (pH 6-8) 2.24 6.36 -40.21 2 4 1 46 277.388 8 ↓

Parameters Provided:

ring.id = 175673
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 = 175673 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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