UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-(azepan-1-ylmethyl)-3-furyl]-N-methyl-methanamine 1-[2-(azepan-1-ylmethyl)-3-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) 1.90 7.24 -106.47 3 3 2 34 224.348 4 ↓

Analogs

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Popular Name: N-[[2-(azepan-1-ylmethyl)-3-furyl]methyl]ethanamine N-[[2-(azepan-1-ylmethyl)-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) 2.27 8.11 -106.03 3 3 2 34 238.375 5 ↓

Analogs

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Popular Name: N-[[2-(azepan-1-ylmethyl)-3-furyl]methyl]propan-1-amine N-[[2-(azepan-1-ylmethyl)-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) 2.78 8.86 -108.12 3 3 2 34 252.402 6 ↓

Analogs

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Popular Name: N-[[2-(azepan-1-ylmethyl)-3-furyl]methyl]propan-2-amine N-[[2-(azepan-1-ylmethyl)-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) 2.57 8.63 -105.71 3 3 2 34 252.402 5 ↓

Analogs

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Popular Name: N-[[2-(azepan-1-ylmethyl)-3-furyl]methyl]-2-methyl-propan-2-amine N-[[2-(azepan-1-ylmethyl)-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) 3.08 9.06 -103.49 3 3 2 34 266.429 5 ↓

Analogs

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Popular Name: N-[[2-(azepan-1-ylmethyl)-3-furyl]methyl]-2-methyl-propan-1-amine N-[[2-(azepan-1-ylmethyl)-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) 3.02 9.54 -107.76 3 3 2 34 266.429 6 ↓

Analogs

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

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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 7.72 -90.23 3 3 2 34 238.375 4 ↓

Analogs

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Popular Name: N-[[5-(azepan-1-ylmethyl)-2-methyl-3-furyl]methyl]ethanamine N-[[5-(azepan-1-ylmethyl)-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) 2.50 8.57 -90.03 3 3 2 34 252.402 5 ↓

Analogs

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Popular Name: N-[[5-(azepan-1-ylmethyl)-2-methyl-3-furyl]methyl]propan-1-amine N-[[5-(azepan-1-ylmethyl)-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) 3.00 9.33 -91.58 3 3 2 34 266.429 6 ↓

Analogs

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Popular Name: N-[[5-(azepan-1-ylmethyl)-2-methyl-3-furyl]methyl]propan-2-amine N-[[5-(azepan-1-ylmethyl)-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) 2.79 9.1 -89.19 3 3 2 34 266.429 5 ↓

Analogs

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Popular Name: N-[[5-(azepan-1-ylmethyl)-2-methyl-3-furyl]methyl]-2-methyl-propan-2-amine N-[[5-(azepan-1-ylmethyl)-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) 3.31 9.51 -88.09 3 3 2 34 280.456 5 ↓

Analogs

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Popular Name: N-[[5-(azepan-1-ylmethyl)-2-methyl-3-furyl]methyl]-2-methyl-propan-1-amine N-[[5-(azepan-1-ylmethyl)-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) 3.24 10.03 -92.03 3 3 2 34 280.456 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(azepan-1-ylmethyl)-2-furyl]methyl]ethanamine N-[[5-(azepan-1-ylmethyl)-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) 2.58 7.93 -88.42 3 3 2 34 238.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(azepan-1-ylmethyl)-2-furyl]methyl]propan-1-amine N-[[5-(azepan-1-ylmethyl)-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) 3.09 8.68 -89.86 3 3 2 34 252.402 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(azepan-1-ylmethyl)-2-furyl]methyl]propan-2-amine N-[[5-(azepan-1-ylmethyl)-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) 2.88 8.45 -87.47 3 3 2 34 252.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(azepan-1-ylmethyl)-2-furyl]methyl]-2-methyl-propan-2-amine N-[[5-(azepan-1-ylmethyl)-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) 3.40 8.88 -86.2 3 3 2 34 266.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(azepan-1-ylmethyl)-2-furyl]methyl]-2-methyl-propan-1-amine N-[[5-(azepan-1-ylmethyl)-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) 3.33 9.38 -90.36 3 3 2 34 266.429 6 ↓

Analogs

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Popular Name: [5-(azepan-1-ylmethyl)-2-methyl-3-furyl]methanamine [5-(azepan-1-ylmethyl)-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) 1.75 5.85 -94.99 4 3 2 45 224.348 3 ↓
Hi High (pH 8-9.5) 1.75 5.45 -32.75 3 3 1 44 223.34 3 ↓

Analogs

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Popular Name: [2-(azepan-1-ylmethyl)-3-furyl]methanamine [2-(azepan-1-ylmethyl)-3-furyl]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) 1.52 5.36 -112.88 4 3 2 45 210.321 3 ↓
Hi High (pH 8-9.5) 1.52 4.97 -33.34 3 3 1 44 209.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(azepan-1-ylmethyl)-3-methyl-2-furyl]methanamine [5-(azepan-1-ylmethyl)-3-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) 2.21 5.81 -93.57 4 3 2 45 224.348 3 ↓

Analogs

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Popular Name: [5-(azepan-1-ylmethyl)-3-furyl]methanamine [5-(azepan-1-ylmethyl)-3-furyl]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) 1.52 5.02 -93.41 4 3 2 45 210.321 3 ↓
Hi High (pH 8-9.5) 1.52 4.62 -33.81 3 3 1 44 209.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(azepan-1-ylmethyl)-3-furyl]-N-methyl-methanamine 1-[5-(azepan-1-ylmethyl)-3-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) 1.90 6.9 -90.77 3 3 2 34 224.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(azepan-1-ylmethyl)-3-furyl]methyl]ethanamine N-[[5-(azepan-1-ylmethyl)-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) 2.27 7.76 -90.55 3 3 2 34 238.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(azepan-1-ylmethyl)-3-furyl]methyl]propan-1-amine N-[[5-(azepan-1-ylmethyl)-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) 2.78 8.51 -92.19 3 3 2 34 252.402 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(azepan-1-ylmethyl)-3-furyl]methyl]propan-2-amine N-[[5-(azepan-1-ylmethyl)-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) 2.57 8.28 -90.04 3 3 2 34 252.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(azepan-1-ylmethyl)-3-furyl]methyl]-2-methyl-propan-2-amine N-[[5-(azepan-1-ylmethyl)-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) 3.08 8.71 -89.16 3 3 2 34 266.429 5 ↓

Analogs

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Popular Name: N-[[5-(azepan-1-ylmethyl)-3-furyl]methyl]-2-methyl-propan-1-amine N-[[5-(azepan-1-ylmethyl)-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) 3.02 9.2 -92.88 3 3 2 34 266.429 6 ↓

Analogs

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

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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) 2.59 7.68 -88.49 3 3 2 34 238.375 4 ↓

Analogs

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Popular Name: N-[[5-(azepan-1-ylmethyl)-3-methyl-2-furyl]methyl]ethanamine N-[[5-(azepan-1-ylmethyl)-3-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) 2.96 8.54 -88.22 3 3 2 34 252.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(azepan-1-ylmethyl)-3-methyl-2-furyl]methyl]propan-1-amine N-[[5-(azepan-1-ylmethyl)-3-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) 3.46 9.29 -89.64 3 3 2 34 266.429 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(azepan-1-ylmethyl)-3-methyl-2-furyl]methyl]propan-2-amine N-[[5-(azepan-1-ylmethyl)-3-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) 3.26 9.06 -87.06 3 3 2 34 266.429 5 ↓

Analogs

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Popular Name: N-[[5-(azepan-1-ylmethyl)-3-methyl-2-furyl]methyl]-2-methyl-propan-2-amine N-[[5-(azepan-1-ylmethyl)-3-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) 3.77 9.5 -85.72 3 3 2 34 280.456 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(azepan-1-ylmethyl)-3-methyl-2-furyl]methyl]-2-methyl-propan-1-amine N-[[5-(azepan-1-ylmethyl)-3-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) 3.71 9.99 -90.12 3 3 2 34 280.456 6 ↓

Analogs

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Popular Name: (2S)-2-(2-furyl)-2-[(2R)-2-methylazepan-1-yl]ethanamine (2S)-2-(2-furyl)-2-[(2R)-2-methy…

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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 5.21 -117.77 4 3 2 45 224.348 3 ↓
Mid Mid (pH 6-8) 1.73 3.59 -44.76 3 3 1 44 223.34 3 ↓
Mid Mid (pH 6-8) 1.73 4.89 -25.75 3 3 1 44 223.34 3 ↓

Analogs

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Popular Name: (2S)-2-(2-furyl)-2-[(2S)-2-methylazepan-1-yl]ethanamine (2S)-2-(2-furyl)-2-[(2S)-2-methy…

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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 5.67 -115.53 4 3 2 45 224.348 3 ↓
Mid Mid (pH 6-8) 1.73 5.51 -26.1 3 3 1 44 223.34 3 ↓
Mid Mid (pH 6-8) 1.73 3.65 -46.76 3 3 1 44 223.34 3 ↓

Analogs

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Popular Name: [5-[[(2R)-2-methylazepan-1-yl]methyl]-3-furyl]methanamine [5-[[(2R)-2-methylazepan-1-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) 1.85 5.34 -91.36 4 3 2 45 224.348 3 ↓
Hi High (pH 8-9.5) 1.85 4.94 -31.27 3 3 1 44 223.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[[(2S)-2-methylazepan-1-yl]methyl]-3-furyl]methanamine [5-[[(2S)-2-methylazepan-1-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) 1.85 5.49 -89.73 4 3 2 45 224.348 3 ↓
Hi High (pH 8-9.5) 1.85 5.09 -30.62 3 3 1 44 223.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[[(2R)-2-methylazepan-1-yl]methyl]-2-furyl]methanamine [5-[[(2R)-2-methylazepan-1-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) 2.17 5.5 -90.43 4 3 2 45 224.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[[(2S)-2-methylazepan-1-yl]methyl]-2-furyl]methanamine [5-[[(2S)-2-methylazepan-1-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) 2.17 5.66 -90.8 4 3 2 45 224.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(2R)-2-methylazepan-1-yl]methyl]-3-furyl]methanamine [2-[[(2R)-2-methylazepan-1-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) 1.85 5.66 -106.91 4 3 2 45 224.348 3 ↓
Hi High (pH 8-9.5) 1.85 5.28 -30.29 3 3 1 44 223.34 3 ↓

Analogs

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Popular Name: [2-[[(2S)-2-methylazepan-1-yl]methyl]-3-furyl]methanamine [2-[[(2S)-2-methylazepan-1-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) 1.85 5.47 -105.42 4 3 2 45 224.348 3 ↓
Hi High (pH 8-9.5) 1.85 5.07 -31.2 3 3 1 44 223.34 3 ↓

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 225759 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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