UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-(azocan-1-ylmethyl)-3-furyl]-N-methyl-methanamine 1-[2-(azocan-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) 2.40 7.62 -103.12 3 3 2 34 238.375 4 ↓

Analogs

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Popular Name: N-[[2-(azocan-1-ylmethyl)-3-furyl]methyl]ethanamine N-[[2-(azocan-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 8.49 -103.35 3 3 2 34 252.402 5 ↓

Analogs

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Popular Name: N-[[2-(azocan-1-ylmethyl)-3-furyl]methyl]propan-1-amine N-[[2-(azocan-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) 3.28 9.25 -105.28 3 3 2 34 266.429 6 ↓

Analogs

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Popular Name: N-[[2-(azocan-1-ylmethyl)-3-furyl]methyl]propan-2-amine N-[[2-(azocan-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 9.03 -101.31 3 3 2 34 266.429 5 ↓

Analogs

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Popular Name: N-[[2-(azocan-1-ylmethyl)-3-furyl]methyl]-2-methyl-propan-2-amine N-[[2-(azocan-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) 3.59 9.45 -100.67 3 3 2 34 280.456 5 ↓

Analogs

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Popular Name: N-[[2-(azocan-1-ylmethyl)-3-furyl]methyl]-2-methyl-propan-1-amine N-[[2-(azocan-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) 3.53 9.94 -106.5 3 3 2 34 280.456 6 ↓

Analogs

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Popular Name: 1-[5-(azocan-1-ylmethyl)-2-methyl-3-furyl]-N-methyl-methanamine 1-[5-(azocan-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) 2.62 8.47 -88.09 3 3 2 34 252.402 4 ↓

Analogs

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Popular Name: N-[[5-(azocan-1-ylmethyl)-2-methyl-3-furyl]methyl]ethanamine N-[[5-(azocan-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 -87.86 3 3 2 34 266.429 5 ↓

Analogs

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Popular Name: N-[[5-(azocan-1-ylmethyl)-2-methyl-3-furyl]methyl]propan-1-amine N-[[5-(azocan-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) 3.50 10.08 -89.32 3 3 2 34 280.456 6 ↓

Analogs

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Popular Name: N-[[5-(azocan-1-ylmethyl)-2-methyl-3-furyl]methyl]propan-2-amine N-[[5-(azocan-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) 3.30 9.85 -86.82 3 3 2 34 280.456 5 ↓

Analogs

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Popular Name: N-[[5-(azocan-1-ylmethyl)-2-methyl-3-furyl]methyl]-2-methyl-propan-2-amine N-[[5-(azocan-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) 3.81 10.26 -85.93 3 3 2 34 294.483 5 ↓

Analogs

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Popular Name: N-[[5-(azocan-1-ylmethyl)-2-methyl-3-furyl]methyl]-2-methyl-propan-1-amine N-[[5-(azocan-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) 3.75 10.78 -89.72 3 3 2 34 294.483 6 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.71 7.81 -87.77 3 3 2 34 238.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(azocan-1-ylmethyl)-2-furyl]methyl]ethanamine N-[[5-(azocan-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 8.67 -87.58 3 3 2 34 252.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(azocan-1-ylmethyl)-2-furyl]methyl]propan-1-amine N-[[5-(azocan-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) 3.59 9.42 -89.11 3 3 2 34 266.429 6 ↓

Analogs

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Popular Name: N-[[5-(azocan-1-ylmethyl)-2-furyl]methyl]propan-2-amine N-[[5-(azocan-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) 3.39 9.19 -86.69 3 3 2 34 266.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(azocan-1-ylmethyl)-2-furyl]methyl]-2-methyl-propan-2-amine N-[[5-(azocan-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) 3.90 9.62 -85.32 3 3 2 34 280.456 5 ↓

Analogs

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Popular Name: N-[[5-(azocan-1-ylmethyl)-2-furyl]methyl]-2-methyl-propan-1-amine N-[[5-(azocan-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) 3.84 10.12 -89.59 3 3 2 34 280.456 6 ↓

Analogs

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Popular Name: [5-(azocan-1-ylmethyl)-2-furyl]methanamine [5-(azocan-1-ylmethyl)-2-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) 2.34 5.94 -92.76 4 3 2 45 224.348 3 ↓

Analogs

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Popular Name: [5-(azocan-1-ylmethyl)-2-methyl-3-furyl]methanamine [5-(azocan-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) 2.25 6.6 -92.91 4 3 2 45 238.375 3 ↓
Hi High (pH 8-9.5) 2.25 6.2 -32.15 3 3 1 44 237.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(azocan-1-ylmethyl)-3-furyl]methanamine [2-(azocan-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) 2.03 5.75 -108.98 4 3 2 45 224.348 3 ↓
Hi High (pH 8-9.5) 2.03 5.36 -33.45 3 3 1 44 223.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(azocan-1-ylmethyl)-3-methyl-2-furyl]methanamine [5-(azocan-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) 2.72 6.56 -93.05 4 3 2 45 238.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(azocan-1-ylmethyl)-3-furyl]methanamine [5-(azocan-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) 2.03 5.77 -91.75 4 3 2 45 224.348 3 ↓
Hi High (pH 8-9.5) 2.03 5.37 -33.03 3 3 1 44 223.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(azocan-1-ylmethyl)-3-furyl]-N-methyl-methanamine 1-[5-(azocan-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) 2.40 7.65 -88.74 3 3 2 34 238.375 4 ↓

Analogs

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Popular Name: N-[[5-(azocan-1-ylmethyl)-3-furyl]methyl]ethanamine N-[[5-(azocan-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 -88.47 3 3 2 34 252.402 5 ↓

Analogs

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Popular Name: N-[[5-(azocan-1-ylmethyl)-3-furyl]methyl]propan-1-amine N-[[5-(azocan-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) 3.28 9.26 -90.05 3 3 2 34 266.429 6 ↓

Analogs

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Popular Name: N-[[5-(azocan-1-ylmethyl)-3-furyl]methyl]propan-2-amine N-[[5-(azocan-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 9.04 -87.87 3 3 2 34 266.429 5 ↓

Analogs

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Popular Name: N-[[5-(azocan-1-ylmethyl)-3-furyl]methyl]-2-methyl-propan-2-amine N-[[5-(azocan-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) 3.59 9.47 -86.88 3 3 2 34 280.456 5 ↓

Analogs

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Popular Name: N-[[5-(azocan-1-ylmethyl)-3-furyl]methyl]-2-methyl-propan-1-amine N-[[5-(azocan-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) 3.53 9.95 -90.71 3 3 2 34 280.456 6 ↓

Analogs

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Popular Name: 1-[5-(azocan-1-ylmethyl)-3-methyl-2-furyl]-N-methyl-methanamine 1-[5-(azocan-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) 3.09 8.43 -87.82 3 3 2 34 252.402 4 ↓

Analogs

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Popular Name: N-[[5-(azocan-1-ylmethyl)-3-methyl-2-furyl]methyl]ethanamine N-[[5-(azocan-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) 3.47 9.29 -87.55 3 3 2 34 266.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(azocan-1-ylmethyl)-3-methyl-2-furyl]methyl]propan-1-amine N-[[5-(azocan-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) 3.97 10.04 -89.04 3 3 2 34 280.456 6 ↓

Analogs

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Popular Name: N-[[5-(azocan-1-ylmethyl)-3-methyl-2-furyl]methyl]propan-2-amine N-[[5-(azocan-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) 3.76 9.81 -86.33 3 3 2 34 280.456 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(azocan-1-ylmethyl)-3-methyl-2-furyl]methyl]-2-methyl-propan-2-amine N-[[5-(azocan-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) 4.28 10.25 -85 3 3 2 34 294.483 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(azocan-1-ylmethyl)-3-methyl-2-furyl]methyl]-2-methyl-propan-1-amine N-[[5-(azocan-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) 4.21 10.74 -89.47 3 3 2 34 294.483 6 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 230819 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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