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Analogs

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Popular Name: N-ethyl-N-[4-[(2-furylmethylamino)methyl]thiazol-2-yl]acetamide N-ethyl-N-[4-[(2-furylmethylamin…

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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 6.23 -42.78 2 5 1 63 280.373 6 ↓
Hi High (pH 8-9.5) 1.29 4.86 -17.22 1 5 0 58 279.365 6 ↓

Analogs

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Popular Name: N-methyl-N-[[2-(methylaminomethyl)thiazol-4-yl]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) 1.08 6.13 -91.61 3 4 2 47 267.398 6 ↓
Hi High (pH 8-9.5) 1.08 4.68 -35.86 2 4 1 42 266.39 6 ↓
Hi High (pH 8-9.5) 1.08 2.32 -6.71 1 4 0 41 265.382 6 ↓

Analogs

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Popular Name: N-[[4-[[methyl-[(5-methyl-2-furyl)methyl]amino]methyl]thiazol-2-yl]methyl]ethanamine N-[[4-[[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) 1.46 6.98 -91.18 3 4 2 47 281.425 7 ↓
Hi High (pH 8-9.5) 1.46 5.61 -35.47 2 4 1 42 280.417 7 ↓
Hi High (pH 8-9.5) 1.46 3.26 -7.64 1 4 0 41 279.409 7 ↓

Analogs

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Popular Name: N-[[4-[[methyl-[(5-methyl-2-furyl)methyl]amino]methyl]thiazol-2-yl]methyl]propan-1-amine N-[[4-[[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) 1.96 7.72 -92.64 3 4 2 47 295.452 8 ↓
Hi High (pH 8-9.5) 1.96 6.37 -35.44 2 4 1 42 294.444 8 ↓
Hi High (pH 8-9.5) 1.96 4.02 -7.49 1 4 0 41 293.436 8 ↓

Analogs

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Popular Name: N-[[4-[[methyl-[(5-methyl-2-furyl)methyl]amino]methyl]thiazol-2-yl]methyl]propan-2-amine N-[[4-[[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) 1.75 7.52 -90.15 3 4 2 47 295.452 7 ↓
Hi High (pH 8-9.5) 1.75 6.29 -35.58 2 4 1 42 294.444 7 ↓
Hi High (pH 8-9.5) 1.75 3.93 -6.27 1 4 0 41 293.436 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[4-[[methyl-[(5-methyl-2-furyl)methyl]amino]methyl]thiazol-2-yl]methyl]propan-2-amine 2-methyl-N-[[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 7.94 -88.77 3 4 2 47 309.479 7 ↓
Hi High (pH 8-9.5) 2.26 4.33 -6.21 1 4 0 41 307.463 7 ↓
Hi High (pH 8-9.5) 2.26 6.69 -35.36 2 4 1 42 308.471 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[4-[[methyl-[(5-methyl-2-furyl)methyl]amino]methyl]thiazol-2-yl]methyl]propan-1-amine 2-methyl-N-[[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) 2.20 8.43 -93.13 3 4 2 47 309.479 8 ↓
Hi High (pH 8-9.5) 2.20 4.85 -6.17 1 4 0 41 307.463 8 ↓
Hi High (pH 8-9.5) 2.20 7.06 -35.61 2 4 1 42 308.471 8 ↓

Analogs

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Popular Name: N-[[2-(aminomethyl)thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-2-furyl)methanamine N-[[2-(aminomethyl)thiazol-4-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) 0.70 4.26 -96.71 4 4 2 58 253.371 5 ↓
Hi High (pH 8-9.5) 0.70 1.89 -45.64 3 4 1 57 252.363 5 ↓
Hi High (pH 8-9.5) 0.70 1.49 -8.29 2 4 0 55 251.355 5 ↓

Analogs

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Popular Name: 1-[4-[[2-furylmethyl(methyl)amino]methyl]thiazol-2-yl]-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) 0.86 5.51 -91.88 3 4 2 47 253.371 6 ↓
Hi High (pH 8-9.5) 0.86 4.07 -35.32 2 4 1 42 252.363 6 ↓
Hi High (pH 8-9.5) 0.86 1.68 -6.83 1 4 0 41 251.355 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[2-furylmethyl(methyl)amino]methyl]thiazol-2-yl]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) 1.23 6.37 -91.43 3 4 2 47 267.398 7 ↓
Hi High (pH 8-9.5) 1.23 5 -35.1 2 4 1 42 266.39 7 ↓
Hi High (pH 8-9.5) 1.23 2.61 -6.62 1 4 0 41 265.382 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[2-furylmethyl(methyl)amino]methyl]thiazol-2-yl]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) 1.74 7.13 -93 3 4 2 47 281.425 8 ↓
Hi High (pH 8-9.5) 1.74 5.77 -35.05 2 4 1 42 280.417 8 ↓
Hi High (pH 8-9.5) 1.74 3.38 -6.49 1 4 0 41 279.409 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[2-furylmethyl(methyl)amino]methyl]thiazol-2-yl]methyl]propan-2-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) 1.53 6.91 -90.5 3 4 2 47 281.425 7 ↓
Hi High (pH 8-9.5) 1.53 5.7 -34.94 2 4 1 42 280.417 7 ↓
Hi High (pH 8-9.5) 1.53 3.29 -6.54 1 4 0 41 279.409 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[2-furylmethyl(methyl)amino]methyl]thiazol-2-yl]methyl]-2-methyl-propan-2-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) 2.04 7.33 -89.11 3 4 2 47 295.452 7 ↓
Hi High (pH 8-9.5) 2.04 3.69 -6.35 1 4 0 41 293.436 7 ↓
Hi High (pH 8-9.5) 2.04 6.08 -34.88 2 4 1 42 294.444 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[2-furylmethyl(methyl)amino]methyl]thiazol-2-yl]methyl]-2-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) 1.98 7.82 -93.38 3 4 2 47 295.452 8 ↓
Hi High (pH 8-9.5) 1.98 6.6 -34.95 2 4 1 42 294.444 8 ↓
Hi High (pH 8-9.5) 1.98 4.21 -6.3 1 4 0 41 293.436 8 ↓

Analogs

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Popular Name: N-[[2-(aminomethyl)thiazol-4-yl]methyl]-1-(2-furyl)-N-methyl-methanamine N-[[2-(aminomethyl)thiazol-4-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) 0.48 3.64 -97.05 4 4 2 58 239.344 5 ↓
Hi High (pH 8-9.5) 0.48 0.87 -7.37 2 4 0 55 237.328 5 ↓
Mid Mid (pH 6-8) 0.48 1.28 -46.21 3 4 1 57 238.336 5 ↓

Analogs

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Popular Name: N-[[2-[[methyl(thiazol-4-ylmethyl)amino]methyl]-3-furyl]methyl]propan-1-amine N-[[2-[[methyl(thiazol-4-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) 1.93 6.79 -105.77 3 4 2 47 281.425 8 ↓
Mid Mid (pH 6-8) 1.93 4.44 -40.02 2 4 1 46 280.417 8 ↓

Analogs

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Popular Name: N-[[2-[[methyl(thiazol-4-ylmethyl)amino]methyl]-3-furyl]methyl]propan-2-amine N-[[2-[[methyl(thiazol-4-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) 1.73 6.55 -103.43 3 4 2 47 281.425 7 ↓
Mid Mid (pH 6-8) 1.73 4.2 -37.68 2 4 1 46 280.417 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-[[methyl(thiazol-4-ylmethyl)amino]methyl]-3-furyl]methyl]propan-2-amine 2-methyl-N-[[2-[[methyl(thiazol-…

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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 6.95 -101.06 3 4 2 47 295.452 7 ↓
Mid Mid (pH 6-8) 2.24 4.62 -36.07 2 4 1 46 294.444 7 ↓

Analogs

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

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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 6.08 -89.34 3 4 2 47 267.398 6 ↓
Hi High (pH 8-9.5) 1.27 3.72 -39.94 2 4 1 46 266.39 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-methyl-5-[[methyl(thiazol-4-ylmethyl)amino]methyl]-3-furyl]methyl]ethanamine N-[[2-methyl-5-[[methyl(thiazol-…

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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 6.94 -89.1 3 4 2 47 281.425 7 ↓
Hi High (pH 8-9.5) 1.65 4.58 -39.04 2 4 1 46 280.417 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-methyl-5-[[methyl(thiazol-4-ylmethyl)amino]methyl]-3-furyl]methyl]propan-1-amine N-[[2-methyl-5-[[methyl(thiazol-…

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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 7.69 -90.5 3 4 2 47 295.452 8 ↓
Hi High (pH 8-9.5) 2.15 5.33 -39.75 2 4 1 46 294.444 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-methyl-5-[[methyl(thiazol-4-ylmethyl)amino]methyl]-3-furyl]methyl]propan-2-amine N-[[2-methyl-5-[[methyl(thiazol-…

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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 7.47 -88.01 3 4 2 47 295.452 7 ↓
Hi High (pH 8-9.5) 1.95 5.1 -37.62 2 4 1 46 294.444 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[2-methyl-5-[[methyl(thiazol-4-ylmethyl)amino]methyl]-3-furyl]methyl]propan-2-amine 2-methyl-N-[[2-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) 2.46 7.87 -87.18 3 4 2 47 309.479 7 ↓
Hi High (pH 8-9.5) 2.46 5.51 -35.87 2 4 1 46 308.471 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[2-methyl-5-[[methyl(thiazol-4-ylmethyl)amino]methyl]-3-furyl]methyl]propan-1-amine 2-methyl-N-[[2-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) 2.40 8.39 -90.92 3 4 2 47 309.479 8 ↓
Hi High (pH 8-9.5) 2.40 6.03 -39.57 2 4 1 46 308.471 8 ↓

Analogs

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

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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 5.64 -90.76 3 4 2 47 253.371 6 ↓
Mid Mid (pH 6-8) 1.36 3.28 -41.61 2 4 1 46 252.363 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[methyl(thiazol-4-ylmethyl)amino]methyl]-2-furyl]methyl]ethanamine N-[[5-[[methyl(thiazol-4-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) 1.74 6.49 -90.56 3 4 2 47 267.398 7 ↓
Mid Mid (pH 6-8) 1.74 4.14 -40.67 2 4 1 46 266.39 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[methyl(thiazol-4-ylmethyl)amino]methyl]-2-furyl]methyl]propan-1-amine N-[[5-[[methyl(thiazol-4-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) 2.24 7.25 -91.97 3 4 2 47 281.425 8 ↓
Mid Mid (pH 6-8) 2.24 4.89 -41.44 2 4 1 46 280.417 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[methyl(thiazol-4-ylmethyl)amino]methyl]-2-furyl]methyl]propan-2-amine N-[[5-[[methyl(thiazol-4-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) 2.04 7.02 -89.63 3 4 2 47 281.425 7 ↓
Mid Mid (pH 6-8) 2.04 4.66 -38.9 2 4 1 46 280.417 7 ↓

Analogs

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

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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 7.22 -88.38 3 4 2 47 295.452 7 ↓
Mid Mid (pH 6-8) 2.55 4.87 -37.36 2 4 1 46 294.444 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.49 7.94 -92.49 3 4 2 47 295.452 8 ↓
Mid Mid (pH 6-8) 2.49 5.59 -41.34 2 4 1 46 294.444 8 ↓

Analogs

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Popular Name: 1-[5-(aminomethyl)-2-furyl]-N-methyl-N-(thiazol-4-ylmethyl)methanamine 1-[5-(aminomethyl)-2-furyl]-N-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) 0.99 3.77 -95.72 4 4 2 58 239.344 5 ↓
Mid Mid (pH 6-8) 0.99 1.41 -47.14 3 4 1 57 238.336 5 ↓

Analogs

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Popular Name: 1-[4-(aminomethyl)-5-methyl-2-furyl]-N-methyl-N-(thiazol-4-ylmethyl)methanamine 1-[4-(aminomethyl)-5-methyl-2-fu…

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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 4.21 -94.05 4 4 2 58 253.371 5 ↓
Hi High (pH 8-9.5) 0.90 1.85 -45.12 3 4 1 57 252.363 5 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)-2-furyl]methyl]-N-methyl-1-thiazol-4-yl-methanamine N-[[3-(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 3.29 -109.61 4 4 2 58 239.344 5 ↓
Mid Mid (pH 6-8) 0.68 0.91 -45.95 3 4 1 57 238.336 5 ↓

Analogs

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Popular Name: [3-methyl-5-[[methyl(thiazol-4-ylmethyl)amino]methyl]-2-furyl]methanamine [3-methyl-5-[[methyl(thiazol-4-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) 1.37 4.17 -96.3 4 4 2 58 253.371 5 ↓
Mid Mid (pH 6-8) 1.37 1.82 -47.93 3 4 1 57 252.363 5 ↓

Analogs

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Popular Name: 1-[4-(aminomethyl)-2-furyl]-N-methyl-N-(thiazol-4-ylmethyl)methanamine 1-[4-(aminomethyl)-2-furyl]-N-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) 0.68 3.39 -93.44 4 4 2 58 239.344 5 ↓
Mid Mid (pH 6-8) 0.68 1.02 -45.47 3 4 1 57 238.336 5 ↓

Analogs

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Popular Name: N-methyl-1-[5-[[methyl(thiazol-4-ylmethyl)amino]methyl]-3-furyl]methanamine N-methyl-1-[5-[[methyl(thiazol-4…

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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 5.25 -89.83 3 4 2 47 253.371 6 ↓
Mid Mid (pH 6-8) 1.05 2.9 -39.4 2 4 1 46 252.363 6 ↓

Analogs

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Popular Name: N-[[5-[[methyl(thiazol-4-ylmethyl)amino]methyl]-3-furyl]methyl]ethanamine N-[[5-[[methyl(thiazol-4-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) 1.43 6.11 -89.57 3 4 2 47 267.398 7 ↓
Mid Mid (pH 6-8) 1.43 3.76 -38.61 2 4 1 46 266.39 7 ↓

Analogs

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Popular Name: N-[[5-[[methyl(thiazol-4-ylmethyl)amino]methyl]-3-furyl]methyl]propan-1-amine N-[[5-[[methyl(thiazol-4-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) 1.93 6.87 -91.14 3 4 2 47 281.425 8 ↓
Mid Mid (pH 6-8) 1.93 4.51 -39.41 2 4 1 46 280.417 8 ↓

Analogs

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Popular Name: N-[[5-[[methyl(thiazol-4-ylmethyl)amino]methyl]-3-furyl]methyl]propan-2-amine N-[[5-[[methyl(thiazol-4-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) 1.73 6.65 -88.89 3 4 2 47 281.425 7 ↓
Mid Mid (pH 6-8) 1.73 4.28 -37.15 2 4 1 46 280.417 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[5-[[methyl(thiazol-4-ylmethyl)amino]methyl]-3-furyl]methyl]propan-2-amine 2-methyl-N-[[5-[[methyl(thiazol-…

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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 7.08 -88.01 3 4 2 47 295.452 7 ↓
Mid Mid (pH 6-8) 2.24 4.72 -35.67 2 4 1 46 294.444 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[5-[[methyl(thiazol-4-ylmethyl)amino]methyl]-3-furyl]methyl]propan-1-amine 2-methyl-N-[[5-[[methyl(thiazol-…

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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) 2.18 7.56 -91.6 3 4 2 47 295.452 8 ↓
Mid Mid (pH 6-8) 2.18 5.2 -39.35 2 4 1 46 294.444 8 ↓

Analogs

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Popular Name: N-methyl-1-[3-methyl-5-[[methyl(thiazol-4-ylmethyl)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 6.04 -91.04 3 4 2 47 267.398 6 ↓
Mid Mid (pH 6-8) 1.74 3.69 -42.21 2 4 1 46 266.39 6 ↓

Analogs

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Popular Name: N-[[3-methyl-5-[[methyl(thiazol-4-ylmethyl)amino]methyl]-2-furyl]methyl]ethanamine N-[[3-methyl-5-[[methyl(thiazol-…

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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 6.9 -90.76 3 4 2 47 281.425 7 ↓
Mid Mid (pH 6-8) 2.12 4.55 -41.04 2 4 1 46 280.417 7 ↓

Analogs

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Popular Name: N-[[3-methyl-5-[[methyl(thiazol-4-ylmethyl)amino]methyl]-2-furyl]methyl]propan-1-amine N-[[3-methyl-5-[[methyl(thiazol-…

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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 7.66 -92.18 3 4 2 47 295.452 8 ↓
Mid Mid (pH 6-8) 2.62 5.3 -41.89 2 4 1 46 294.444 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-methyl-5-[[methyl(thiazol-4-ylmethyl)amino]methyl]-2-furyl]methyl]propan-2-amine N-[[3-methyl-5-[[methyl(thiazol-…

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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 7.44 -89.69 3 4 2 47 295.452 7 ↓
Mid Mid (pH 6-8) 2.41 5.08 -39.2 2 4 1 46 294.444 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[3-methyl-5-[[methyl(thiazol-4-ylmethyl)amino]methyl]-2-furyl]methyl]propan-2-amine 2-methyl-N-[[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) 2.93 7.86 -88.19 3 4 2 47 309.479 7 ↓
Mid Mid (pH 6-8) 2.93 5.51 -37.39 2 4 1 46 308.471 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[3-methyl-5-[[methyl(thiazol-4-ylmethyl)amino]methyl]-2-furyl]methyl]propan-1-amine 2-methyl-N-[[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) 2.86 8.35 -92.54 3 4 2 47 309.479 8 ↓
Mid Mid (pH 6-8) 2.86 6 -41.86 2 4 1 46 308.471 8 ↓

Analogs

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Popular Name: N-[[2-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]-3-furyl]methyl]ethanamine N-[[2-[[methyl-[(2-methylthiazol…

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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 6.76 -104.06 3 4 2 47 281.425 7 ↓
Mid Mid (pH 6-8) 1.14 4.41 -39.52 2 4 1 46 280.417 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]-3-furyl]methyl]propan-1-amine N-[[2-[[methyl-[(2-methylthiazol…

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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 7.51 -105.83 3 4 2 47 295.452 8 ↓
Mid Mid (pH 6-8) 1.65 5.16 -40.26 2 4 1 46 294.444 8 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-[[methyl-[(2-methylthiazol-4-yl)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) 1.95 7.67 -101.06 3 4 2 47 309.479 7 ↓
Mid Mid (pH 6-8) 1.95 5.28 -36.27 2 4 1 46 308.471 7 ↓

Parameters Provided:

ring.id = 15198
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 = 15198 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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