UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-methyl-N-[[2-(methylaminomethyl)-3-furyl]methyl]-1-(2-methyl-3-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) 1.05 7.12 -110.35 3 4 2 47 250.342 6 ↓
Hi High (pH 8-9.5) 1.05 4.39 -40.03 2 4 1 46 249.334 6 ↓

Analogs

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Popular Name: N-[[3-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-2-furyl]methyl]ethanamine N-[[3-[[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 7.96 -109.58 3 4 2 47 264.369 7 ↓
Hi High (pH 8-9.5) 1.43 5.29 -39 2 4 1 46 263.361 7 ↓

Analogs

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Popular Name: N-[[3-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-2-furyl]methyl]propan-1-amine N-[[3-[[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 8.72 -111.61 3 4 2 47 278.396 8 ↓
Hi High (pH 8-9.5) 1.93 6.03 -39.38 2 4 1 46 277.388 8 ↓

Analogs

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Popular Name: N-[[3-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-2-furyl]methyl]propan-2-amine N-[[3-[[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 8.27 -104.82 3 4 2 47 278.396 7 ↓
Hi High (pH 8-9.5) 1.73 5.66 -36.74 2 4 1 46 277.388 7 ↓

Analogs

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Popular Name: N-[[2-(aminomethyl)-3-furyl]methyl]-N-methyl-1-(2-methyl-3-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) 0.68 5.26 -117.07 4 4 2 58 236.315 5 ↓
Hi High (pH 8-9.5) 0.68 2.74 -44.99 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-(2-methyl-3-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) 0.90 5.94 -98.87 4 4 2 58 250.342 5 ↓
Hi High (pH 8-9.5) 0.90 3.5 -45.56 3 4 1 57 249.334 5 ↓

Analogs

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Popular Name: N-methyl-1-(2-methyl-3-furyl)-N-[[2-methyl-5-(methylaminomethyl)-3-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 7.81 -94.09 3 4 2 47 264.369 6 ↓
Hi High (pH 8-9.5) 1.27 5.37 -40.12 2 4 1 46 263.361 6 ↓

Analogs

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Popular Name: N-[[5-methyl-4-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-2-furyl]methyl]ethanamine N-[[5-methyl-4-[[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 8.61 -93.85 3 4 2 47 278.396 7 ↓
Hi High (pH 8-9.5) 1.65 6.27 -39.18 2 4 1 46 277.388 7 ↓

Analogs

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Popular Name: N-[[5-methyl-4-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-2-furyl]methyl]propan-1-amine N-[[5-methyl-4-[[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 9.37 -95.35 3 4 2 47 292.423 8 ↓
Hi High (pH 8-9.5) 2.15 7.02 -39.97 2 4 1 46 291.415 8 ↓

Analogs

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Popular Name: N-[[5-methyl-4-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-2-furyl]methyl]propan-2-amine N-[[5-methyl-4-[[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 9.19 -93.25 3 4 2 47 292.423 7 ↓
Hi High (pH 8-9.5) 1.95 6.74 -37.46 2 4 1 46 291.415 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[3-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-2-furyl]methyl]propan-1-amine 2-methyl-N-[[3-[[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 9.44 -112.86 3 4 2 47 292.423 8 ↓
Hi High (pH 8-9.5) 2.17 7.14 -42.87 2 4 1 46 291.415 8 ↓

Analogs

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Popular Name: 2-methyl-N-[[3-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]-2-furyl]methyl]propan-2-amine 2-methyl-N-[[3-[[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 8.7 -104.36 3 4 2 47 292.423 7 ↓
Hi High (pH 8-9.5) 2.24 6.64 -38.62 2 4 1 46 291.415 7 ↓

Analogs

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Popular Name: 1-[3-[[3-furylmethyl(methyl)amino]methyl]-2-furyl]-N-methyl-methanamine 1-[3-[[3-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) 0.83 6.28 -108.95 3 4 2 47 236.315 6 ↓
Hi High (pH 8-9.5) 0.83 4.29 -38.95 2 4 1 46 235.307 6 ↓

Analogs

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Popular Name: N-[[3-[[3-furylmethyl(methyl)amino]methyl]-2-furyl]methyl]ethanamine N-[[3-[[3-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) 1.21 7.12 -108.88 3 4 2 47 250.342 7 ↓
Hi High (pH 8-9.5) 1.21 4.63 -37.98 2 4 1 46 249.334 7 ↓

Analogs

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Popular Name: N-[[3-[[3-furylmethyl(methyl)amino]methyl]-2-furyl]methyl]propan-1-amine N-[[3-[[3-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) 1.71 7.88 -110.87 3 4 2 47 264.369 8 ↓
Hi High (pH 8-9.5) 1.71 5.38 -38.54 2 4 1 46 263.361 8 ↓

Analogs

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Popular Name: N-[[3-[[3-furylmethyl(methyl)amino]methyl]-2-furyl]methyl]propan-2-amine N-[[3-[[3-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) 1.50 7.66 -108.41 3 4 2 47 264.369 7 ↓
Hi High (pH 8-9.5) 1.50 5.13 -36.03 2 4 1 46 263.361 7 ↓

Analogs

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Popular Name: N-[[2-(aminomethyl)-3-furyl]methyl]-1-(3-furyl)-N-methyl-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) 0.46 4.37 -115.12 4 4 2 58 222.288 5 ↓
Hi High (pH 8-9.5) 0.46 2.32 -44.14 3 4 1 57 221.28 5 ↓

Analogs

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Popular Name: [4-[[3-furylmethyl(methyl)amino]methyl]-5-methyl-2-furyl]methanamine [4-[[3-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) 0.68 5.09 -98.08 4 4 2 58 236.315 5 ↓
Hi High (pH 8-9.5) 0.68 2.76 -45.4 3 4 1 57 235.307 5 ↓

Analogs

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Popular Name: 1-[4-[[3-furylmethyl(methyl)amino]methyl]-5-methyl-2-furyl]-N-methyl-methanamine 1-[4-[[3-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) 1.05 6.97 -93.29 3 4 2 47 250.342 6 ↓
Hi High (pH 8-9.5) 1.05 4.63 -39.9 2 4 1 46 249.334 6 ↓

Analogs

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Popular Name: N-[[4-[[3-furylmethyl(methyl)amino]methyl]-5-methyl-2-furyl]methyl]ethanamine N-[[4-[[3-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) 1.43 7.81 -93.13 3 4 2 47 264.369 7 ↓
Hi High (pH 8-9.5) 1.43 5.48 -39.04 2 4 1 46 263.361 7 ↓

Analogs

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Popular Name: N-[[4-[[3-furylmethyl(methyl)amino]methyl]-5-methyl-2-furyl]methyl]propan-1-amine N-[[4-[[3-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) 1.93 8.56 -94.6 3 4 2 47 278.396 8 ↓
Hi High (pH 8-9.5) 1.93 6.23 -39.81 2 4 1 46 277.388 8 ↓

Analogs

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Popular Name: N-[[4-[[3-furylmethyl(methyl)amino]methyl]-5-methyl-2-furyl]methyl]propan-2-amine N-[[4-[[3-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) 1.73 8.35 -91.85 3 4 2 47 278.396 7 ↓
Hi High (pH 8-9.5) 1.73 6 -37.49 2 4 1 46 277.388 7 ↓

Analogs

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Popular Name: N-[[4-[[3-furylmethyl(methyl)amino]methyl]-5-methyl-2-furyl]methyl]-2-methyl-propan-2-amine N-[[4-[[3-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 8.76 -91.05 3 4 2 47 292.423 7 ↓
Hi High (pH 8-9.5) 2.24 6.42 -35.53 2 4 1 46 291.415 7 ↓

Analogs

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Popular Name: N-[[4-[[3-furylmethyl(methyl)amino]methyl]-5-methyl-2-furyl]methyl]-2-methyl-propan-1-amine N-[[4-[[3-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) 2.17 9.27 -95.21 3 4 2 47 292.423 8 ↓
Hi High (pH 8-9.5) 2.17 6.94 -39.83 2 4 1 46 291.415 8 ↓

Analogs

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Popular Name: N-[[3-[[3-furylmethyl(methyl)amino]methyl]-2-furyl]methyl]-2-methyl-propan-1-amine N-[[3-[[3-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) 1.95 8.59 -110.75 3 4 2 47 278.396 8 ↓
Hi High (pH 8-9.5) 1.95 5.86 -37.31 2 4 1 46 277.388 8 ↓

Analogs

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Popular Name: N-[[3-[[3-furylmethyl(methyl)amino]methyl]-2-furyl]methyl]-2-methyl-propan-2-amine N-[[3-[[3-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 8.07 -105.69 3 4 2 47 278.396 7 ↓
Hi High (pH 8-9.5) 2.02 5.84 -33.75 2 4 1 46 277.388 7 ↓

Analogs

42449614
42449614
36926555
36926555
37079052
37079052

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Popular Name: 3-[[3-furylmethyl(methyl)amino]methyl]furan-2-carboxylic 3-[[3-furylmethyl(methyl)amino]m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.84 6.89 -43.24 1 5 0 71 235.239 5 ↓

Analogs

36926555
36926555
37079052
37079052
42448403
42448403

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Popular Name: 3-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]furan-2-carboxylic 3-[[methyl-[(2-methyl-3-furyl)me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.07 7.75 -42.1 1 5 0 71 249.266 5 ↓

Parameters Provided:

ring.id = 222864
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 = 222864 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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