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Analogs

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Popular Name: (1R,2R)-N1-(cyclobutylmethyl)-N1-methyl-1-(5-methyl-2-furyl)propane-1,2-diamine (1R,2R)-N1-(cyclobutylmethyl)-N1…

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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 4.99 -36.51 3 3 1 44 237.367 5 ↓
Mid Mid (pH 6-8) 1.65 6.57 -32.9 3 3 1 44 237.367 5 ↓
Mid Mid (pH 6-8) 1.65 6.97 -113.18 4 3 2 45 238.375 5 ↓

Analogs

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Popular Name: (1S,2R)-N1-(cyclobutylmethyl)-N1-methyl-1-(5-methyl-2-furyl)propane-1,2-diamine (1S,2R)-N1-(cyclobutylmethyl)-N1…

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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 5 -41.27 3 3 1 44 237.367 5 ↓
Mid Mid (pH 6-8) 1.65 6.65 -112.13 4 3 2 45 238.375 5 ↓
Mid Mid (pH 6-8) 1.65 6.38 -32.48 3 3 1 44 237.367 5 ↓

Analogs

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Popular Name: (1R,2S)-N1-(cyclobutylmethyl)-N1-methyl-1-(5-methyl-2-furyl)propane-1,2-diamine (1R,2S)-N1-(cyclobutylmethyl)-N1…

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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 5 -41.65 3 3 1 44 237.367 5 ↓
Mid Mid (pH 6-8) 1.65 6.8 -111.95 4 3 2 45 238.375 5 ↓
Mid Mid (pH 6-8) 1.65 6.48 -32.15 3 3 1 44 237.367 5 ↓

Analogs

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Popular Name: (1S,2S)-N1-(cyclobutylmethyl)-N1-methyl-1-(5-methyl-2-furyl)propane-1,2-diamine (1S,2S)-N1-(cyclobutylmethyl)-N1…

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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 4.81 -36.18 3 3 1 44 237.367 5 ↓
Mid Mid (pH 6-8) 1.65 6.83 -113.33 4 3 2 45 238.375 5 ↓
Mid Mid (pH 6-8) 1.65 6.49 -32.36 3 3 1 44 237.367 5 ↓

Analogs

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Popular Name: (1S,2S)-N1-(cyclobutylmethyl)-1-(2-furyl)-N1-methyl-propane-1,2-diamine (1S,2S)-N1-(cyclobutylmethyl)-1-…

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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 4.09 -40.54 3 3 1 44 223.34 5 ↓
Mid Mid (pH 6-8) 1.43 6.12 -112.24 4 3 2 45 224.348 5 ↓
Mid Mid (pH 6-8) 1.43 5.76 -33.31 3 3 1 44 223.34 5 ↓

Analogs

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Popular Name: (1S,2R)-N1-(cyclobutylmethyl)-1-(2-furyl)-N1-methyl-propane-1,2-diamine (1S,2R)-N1-(cyclobutylmethyl)-1-…

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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 4.13 -40.99 3 3 1 44 223.34 5 ↓
Mid Mid (pH 6-8) 1.43 5.88 -111.39 4 3 2 45 224.348 5 ↓
Mid Mid (pH 6-8) 1.43 5.54 -32.55 3 3 1 44 223.34 5 ↓

Analogs

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Popular Name: (1R,2S)-N1-(cyclobutylmethyl)-1-(2-furyl)-N1-methyl-propane-1,2-diamine (1R,2S)-N1-(cyclobutylmethyl)-1-…

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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 4.3 -41.35 3 3 1 44 223.34 5 ↓
Mid Mid (pH 6-8) 1.43 5.66 -32.8 3 3 1 44 223.34 5 ↓
Mid Mid (pH 6-8) 1.43 5.97 -111.42 4 3 2 45 224.348 5 ↓

Analogs

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Popular Name: (1R,2R)-N1-(cyclobutylmethyl)-1-(2-furyl)-N1-methyl-propane-1,2-diamine (1R,2R)-N1-(cyclobutylmethyl)-1-…

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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 4.12 -36.75 3 3 1 44 223.34 5 ↓
Mid Mid (pH 6-8) 1.43 6.09 -113.12 4 3 2 45 224.348 5 ↓
Mid Mid (pH 6-8) 1.43 5.79 -32.52 3 3 1 44 223.34 5 ↓

Analogs

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Popular Name: (1S,2S)-N1-(cyclobutylmethyl)-1-(2-furyl)-N1-methyl-butane-1,2-diamine (1S,2S)-N1-(cyclobutylmethyl)-1-…

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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) 1.97 4.92 -40.05 3 3 1 44 237.367 6 ↓
Mid Mid (pH 6-8) 1.97 6.61 -33.38 3 3 1 44 237.367 6 ↓
Mid Mid (pH 6-8) 1.97 6.92 -112.58 4 3 2 45 238.375 6 ↓

Analogs

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Popular Name: (1S,2R)-N1-(cyclobutylmethyl)-1-(2-furyl)-N1-methyl-butane-1,2-diamine (1S,2R)-N1-(cyclobutylmethyl)-1-…

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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) 1.97 4.94 -40.8 3 3 1 44 237.367 6 ↓
Mid Mid (pH 6-8) 1.97 6.36 -30.98 3 3 1 44 237.367 6 ↓
Mid Mid (pH 6-8) 1.97 6.63 -112.17 4 3 2 45 238.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N1-(cyclobutylmethyl)-1-(2-furyl)-N1-methyl-butane-1,2-diamine (1R,2S)-N1-(cyclobutylmethyl)-1-…

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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) 1.97 5.04 -41.12 3 3 1 44 237.367 6 ↓
Mid Mid (pH 6-8) 1.97 6.5 -32.74 3 3 1 44 237.367 6 ↓
Mid Mid (pH 6-8) 1.97 6.78 -111.62 4 3 2 45 238.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N1-(cyclobutylmethyl)-1-(2-furyl)-N1-methyl-butane-1,2-diamine (1R,2R)-N1-(cyclobutylmethyl)-1-…

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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) 1.97 4.97 -35.89 3 3 1 44 237.367 6 ↓
Mid Mid (pH 6-8) 1.97 6.94 -113.67 4 3 2 45 238.375 6 ↓
Mid Mid (pH 6-8) 1.97 6.54 -30.06 3 3 1 44 237.367 6 ↓

Analogs

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Popular Name: (1S)-N-(cyclobutylmethyl)-1-(2-furyl)-N-methyl-ethane-1,2-diamine (1S)-N-(cyclobutylmethyl)-1-(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) 1.03 3.58 -43.89 3 3 1 44 209.313 5 ↓
Mid Mid (pH 6-8) 1.03 5.31 -123.05 4 3 2 45 210.321 5 ↓
Mid Mid (pH 6-8) 1.03 4.86 -29.2 3 3 1 44 209.313 5 ↓

Analogs

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Popular Name: (1R)-N-(cyclobutylmethyl)-1-(2-furyl)-N-methyl-ethane-1,2-diamine (1R)-N-(cyclobutylmethyl)-1-(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) 1.03 3.47 -43.76 3 3 1 44 209.313 5 ↓
Mid Mid (pH 6-8) 1.03 4.74 -33.09 3 3 1 44 209.313 5 ↓
Mid Mid (pH 6-8) 1.03 5.1 -113.89 4 3 2 45 210.321 5 ↓

Analogs

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Popular Name: (1R)-N-(cyclobutylmethyl)-N-methyl-1-(5-methyl-2-furyl)ethane-1,2-diamine (1R)-N-(cyclobutylmethyl)-N-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) 1.25 4.16 -43.78 3 3 1 44 223.34 5 ↓
Mid Mid (pH 6-8) 1.25 5.55 -33.19 3 3 1 44 223.34 5 ↓
Mid Mid (pH 6-8) 1.25 5.91 -114.38 4 3 2 45 224.348 5 ↓

Analogs

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Popular Name: (1S)-N-(cyclobutylmethyl)-N-methyl-1-(5-methyl-2-furyl)ethane-1,2-diamine (1S)-N-(cyclobutylmethyl)-N-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) 1.25 4.17 -44.35 3 3 1 44 223.34 5 ↓
Mid Mid (pH 6-8) 1.25 6.14 -123.19 4 3 2 45 224.348 5 ↓
Mid Mid (pH 6-8) 1.25 5.66 -28.87 3 3 1 44 223.34 5 ↓

Analogs

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Popular Name: (1S,2S)-N1-(cyclobutylmethyl)-N1-methyl-1-(5-methyl-2-furyl)butane-1,2-diamine (1S,2S)-N1-(cyclobutylmethyl)-N1…

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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) 2.19 5.52 -35.07 3 3 1 44 251.394 6 ↓
Mid Mid (pH 6-8) 2.19 7.32 -32.88 3 3 1 44 251.394 6 ↓
Mid Mid (pH 6-8) 2.19 7.65 -113.62 4 3 2 45 252.402 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N1-(cyclobutylmethyl)-N1-methyl-1-(5-methyl-2-furyl)butane-1,2-diamine (1S,2R)-N1-(cyclobutylmethyl)-N1…

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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) 2.19 5.77 -40.92 3 3 1 44 251.394 6 ↓
Mid Mid (pH 6-8) 2.19 7.18 -30.74 3 3 1 44 251.394 6 ↓
Mid Mid (pH 6-8) 2.19 7.49 -112 4 3 2 45 252.402 6 ↓

Analogs

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Popular Name: (1R,2S)-N1-(cyclobutylmethyl)-N1-methyl-1-(5-methyl-2-furyl)butane-1,2-diamine (1R,2S)-N1-(cyclobutylmethyl)-N1…

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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) 2.19 5.85 -41.28 3 3 1 44 251.394 6 ↓
Mid Mid (pH 6-8) 2.19 7.6 -111.74 4 3 2 45 252.402 6 ↓
Mid Mid (pH 6-8) 2.19 7.32 -32.56 3 3 1 44 251.394 6 ↓

Analogs

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Popular Name: (1R,2R)-N1-(cyclobutylmethyl)-N1-methyl-1-(5-methyl-2-furyl)butane-1,2-diamine (1R,2R)-N1-(cyclobutylmethyl)-N1…

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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) 2.19 5.79 -35.56 3 3 1 44 251.394 6 ↓
Mid Mid (pH 6-8) 2.19 7.76 -113.47 4 3 2 45 252.402 6 ↓
Mid Mid (pH 6-8) 2.19 7.37 -29.92 3 3 1 44 251.394 6 ↓

Analogs

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Popular Name: (1R)-N-(cyclobutylmethyl)-1-(5-ethyl-2-furyl)-N-methyl-ethane-1,2-diamine (1R)-N-(cyclobutylmethyl)-1-(5-e…

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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) 1.82 4.95 -43.71 3 3 1 44 237.367 6 ↓
Mid Mid (pH 6-8) 1.82 6.39 -29 3 3 1 44 237.367 6 ↓
Mid Mid (pH 6-8) 1.82 6.7 -114.91 4 3 2 45 238.375 6 ↓

Analogs

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Popular Name: (1S)-N-(cyclobutylmethyl)-1-(5-ethyl-2-furyl)-N-methyl-ethane-1,2-diamine (1S)-N-(cyclobutylmethyl)-1-(5-e…

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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) 1.82 4.95 -44.15 3 3 1 44 237.367 6 ↓
Mid Mid (pH 6-8) 1.82 6.92 -123.64 4 3 2 45 238.375 6 ↓
Mid Mid (pH 6-8) 1.82 6.54 -30.01 3 3 1 44 237.367 6 ↓

Analogs

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Popular Name: (1S)-N-(cyclobutylmethyl)-1-(4,5-dibromo-2-furyl)-N-methyl-ethane-1,2-diamine (1S)-N-(cyclobutylmethyl)-1-(4,5…

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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) 2.70 4.73 -47.7 3 3 1 44 367.105 5 ↓
Mid Mid (pH 6-8) 2.70 6.1 -33.62 3 3 1 44 367.105 5 ↓
Mid Mid (pH 6-8) 2.70 6.43 -126.04 4 3 2 45 368.113 5 ↓

Analogs

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Popular Name: (1R)-N-(cyclobutylmethyl)-1-(4,5-dibromo-2-furyl)-N-methyl-ethane-1,2-diamine (1R)-N-(cyclobutylmethyl)-1-(4,5…

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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) 2.70 4.8 -48.06 3 3 1 44 367.105 5 ↓
Mid Mid (pH 6-8) 2.70 6.44 -124.7 4 3 2 45 368.113 5 ↓
Mid Mid (pH 6-8) 2.70 6.07 -37.28 3 3 1 44 367.105 5 ↓

Analogs

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Popular Name: (1S)-1-(5-bromo-2-furyl)-N-(cyclobutylmethyl)-N-methyl-ethane-1,2-diamine (1S)-1-(5-bromo-2-furyl)-N-(cycl…

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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 4.32 -46.5 3 3 1 44 288.209 5 ↓
Mid Mid (pH 6-8) 1.96 5.59 -31.47 3 3 1 44 288.209 5 ↓
Mid Mid (pH 6-8) 1.96 6.04 -128.36 4 3 2 45 289.217 5 ↓

Analogs

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Popular Name: (1R)-1-(5-bromo-2-furyl)-N-(cyclobutylmethyl)-N-methyl-ethane-1,2-diamine (1R)-1-(5-bromo-2-furyl)-N-(cycl…

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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 4.21 -46.2 3 3 1 44 288.209 5 ↓
Mid Mid (pH 6-8) 1.96 5.47 -35.08 3 3 1 44 288.209 5 ↓
Mid Mid (pH 6-8) 1.96 5.84 -120.27 4 3 2 45 289.217 5 ↓

Analogs

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Popular Name: 5-[[cyclobutylmethyl(methyl)amino]methyl]furan-2-carboxylic 5-[[cyclobutylmethyl(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) 1.85 8.1 -64.54 1 4 0 58 223.272 5 ↓

Analogs

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Popular Name: 2-[[cyclobutylmethyl(methyl)amino]methyl]furan-3-carboxylic 2-[[cyclobutylmethyl(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) 1.54 7.5 -42.81 1 4 0 58 223.272 5 ↓

Analogs

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Popular Name: 5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methyl-furan-3-carboxylic 5-[[cyclobutylmethyl(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) 1.76 8.64 -63.34 1 4 0 58 237.299 5 ↓

Analogs

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Popular Name: 5-[[cyclobutylmethyl(methyl)amino]methyl]-3-methyl-furan-2-carboxylic 5-[[cyclobutylmethyl(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) 2.23 8.69 -64.96 1 4 0 58 237.299 5 ↓

Analogs

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Popular Name: 5-[[cyclobutylmethyl(methyl)amino]methyl]furan-3-carboxylic 5-[[cyclobutylmethyl(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) 1.54 8.05 -64.03 1 4 0 58 223.272 5 ↓

Analogs

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

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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) 1.47 5.41 -94.68 4 3 2 45 210.321 5 ↓

Analogs

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Popular Name: 1-[4-(aminomethyl)-5-methyl-2-furyl]-N-(cyclobutylmethyl)-N-methyl-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) 1.38 6.06 -96.41 4 3 2 45 224.348 5 ↓
Hi High (pH 8-9.5) 1.38 5.64 -35.24 3 3 1 44 223.34 5 ↓

Analogs

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

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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) 1.15 4.93 -111.74 4 3 2 45 210.321 5 ↓
Hi High (pH 8-9.5) 1.15 4.53 -36.57 3 3 1 44 209.313 5 ↓

Analogs

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

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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 6.8 -106.08 3 3 2 34 224.348 6 ↓

Analogs

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Popular Name: N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]-3-furyl]methyl]ethanamine N-[[2-[[cyclobutylmethyl(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) 1.90 8.16 -106.35 3 3 2 34 238.375 7 ↓

Analogs

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Popular Name: N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]-3-furyl]methyl]propan-1-amine N-[[2-[[cyclobutylmethyl(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) 2.41 8.9 -108.19 3 3 2 34 252.402 8 ↓

Analogs

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Popular Name: N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]-3-furyl]methyl]propan-2-amine N-[[2-[[cyclobutylmethyl(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) 2.20 8.17 -104.08 3 3 2 34 252.402 7 ↓

Analogs

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Popular Name: N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]-3-furyl]methyl]-2-methyl-propan-2-amine N-[[2-[[cyclobutylmethyl(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) 2.71 9.11 -103.93 3 3 2 34 266.429 7 ↓

Analogs

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Popular Name: N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]-3-furyl]methyl]-2-methyl-propan-1-amine N-[[2-[[cyclobutylmethyl(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) 2.65 9.61 -109.61 3 3 2 34 266.429 8 ↓

Analogs

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

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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 7.93 -91.56 3 3 2 34 238.375 6 ↓

Analogs

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Popular Name: N-[[5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methyl-3-furyl]methyl]ethanamine N-[[5-[[cyclobutylmethyl(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) 2.13 8.78 -91.36 3 3 2 34 252.402 7 ↓

Analogs

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Popular Name: N-[[5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methyl-3-furyl]methyl]propan-1-amine N-[[5-[[cyclobutylmethyl(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) 2.63 9.53 -92.86 3 3 2 34 266.429 8 ↓

Analogs

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Popular Name: N-[[5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methyl-3-furyl]methyl]propan-2-amine N-[[5-[[cyclobutylmethyl(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) 2.42 9.31 -90.57 3 3 2 34 266.429 7 ↓

Analogs

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Popular Name: N-[[5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methyl-3-furyl]methyl]-2-methyl-propan-2-amine N-[[5-[[cyclobutylmethyl(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) 2.94 9.72 -89.42 3 3 2 34 280.456 7 ↓

Analogs

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Popular Name: N-[[5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methyl-3-furyl]methyl]-2-methyl-propan-1-amine N-[[5-[[cyclobutylmethyl(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) 2.87 10.23 -93.26 3 3 2 34 280.456 8 ↓

Analogs

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Popular Name: 1-[5-[[cyclobutylmethyl(methyl)amino]methyl]-2-furyl]-N-methyl-methanamine 1-[5-[[cyclobutylmethyl(methyl)a…

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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) 1.84 7.27 -89.76 3 3 2 34 224.348 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[cyclobutylmethyl(methyl)amino]methyl]-2-furyl]methyl]ethanamine N-[[5-[[cyclobutylmethyl(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) 2.22 8.13 -89.61 3 3 2 34 238.375 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[cyclobutylmethyl(methyl)amino]methyl]-2-furyl]methyl]propan-1-amine N-[[5-[[cyclobutylmethyl(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 8.88 -90.98 3 3 2 34 252.402 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[cyclobutylmethyl(methyl)amino]methyl]-2-furyl]methyl]propan-2-amine N-[[5-[[cyclobutylmethyl(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) 2.51 8.65 -88.57 3 3 2 34 252.402 7 ↓

Parameters Provided:

ring.id = 217223
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 = 217223 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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