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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (1R)-N-(cyclobutylmethyl)-N-methyl-1-[(3S)-tetrahydrofuran-3-yl]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) 0.66 3.77 -127.86 4 3 2 41 214.353 5 ↓
Mid Mid (pH 6-8) 0.66 4.13 -31.94 3 3 1 40 213.345 5 ↓
Mid Mid (pH 6-8) 0.66 2.47 -48.51 3 3 1 40 213.345 5 ↓

Analogs

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Popular Name: (1S)-N-(cyclobutylmethyl)-N-methyl-1-[(3S)-tetrahydrofuran-3-yl]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) 0.66 3.61 -124.58 4 3 2 41 214.353 5 ↓
Mid Mid (pH 6-8) 0.66 1.99 -42.09 3 3 1 40 213.345 5 ↓
Mid Mid (pH 6-8) 0.66 4.05 -35.33 3 3 1 40 213.345 5 ↓

Analogs

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Popular Name: (3R)-3-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-3-carbaldehyde (3R)-3-[[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) 1.39 5.87 -43.26 1 3 1 31 212.313 5 ↓
Hi High (pH 8-9.5) 1.39 4.14 -6.86 0 3 0 30 211.305 5 ↓

Analogs

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Popular Name: (3S)-3-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-3-carbaldehyde (3S)-3-[[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) 1.39 5.63 -42.12 1 3 1 31 212.313 5 ↓
Hi High (pH 8-9.5) 1.39 3.76 -5.27 0 3 0 30 211.305 5 ↓

Analogs

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Popular Name: 1-[(3S)-3-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-3-yl]-N-methyl-methanamine 1-[(3S)-3-[[cyclobutylmethyl(met…

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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 6.31 -98.73 3 3 2 30 228.38 6 ↓
Mid Mid (pH 6-8) 1.36 4.71 -40.21 2 3 1 29 227.372 6 ↓
Mid Mid (pH 6-8) 1.36 4.72 -35.78 2 3 1 26 227.372 6 ↓

Analogs

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Popular Name: 1-[(3R)-3-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-3-yl]-N-methyl-methanamine 1-[(3R)-3-[[cyclobutylmethyl(met…

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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 6.15 -103.9 3 3 2 30 228.38 6 ↓
Mid Mid (pH 6-8) 1.36 4.73 -36.97 2 3 1 26 227.372 6 ↓
Mid Mid (pH 6-8) 1.36 4.38 -34.48 2 3 1 29 227.372 6 ↓

Analogs

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Popular Name: N-[[(3S)-3-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-3-yl]methyl]ethanamine N-[[(3S)-3-[[cyclobutylmethyl(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) 1.38 7.18 -99.31 3 3 2 30 242.407 7 ↓
Mid Mid (pH 6-8) 1.38 5.58 -39.23 2 3 1 29 241.399 7 ↓
Mid Mid (pH 6-8) 1.38 5.64 -36 2 3 1 26 241.399 7 ↓

Analogs

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Popular Name: N-[[(3R)-3-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-3-yl]methyl]ethanamine N-[[(3R)-3-[[cyclobutylmethyl(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) 1.38 6.92 -105.76 3 3 2 30 242.407 7 ↓
Mid Mid (pH 6-8) 1.38 5.55 -37.64 2 3 1 26 241.399 7 ↓
Mid Mid (pH 6-8) 1.38 5.18 -32.75 2 3 1 29 241.399 7 ↓

Analogs

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Popular Name: N-[[(3S)-3-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-3-yl]methyl]propan-1-amine N-[[(3S)-3-[[cyclobutylmethyl(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) 1.89 7.93 -101.08 3 3 2 30 256.434 8 ↓
Hi High (pH 8-9.5) 1.89 6.41 -36.14 2 3 1 26 255.426 8 ↓
Mid Mid (pH 6-8) 1.89 6.33 -40.08 2 3 1 29 255.426 8 ↓

Analogs

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Popular Name: N-[[(3R)-3-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-3-yl]methyl]propan-1-amine N-[[(3R)-3-[[cyclobutylmethyl(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) 1.89 7.68 -107.43 3 3 2 30 256.434 8 ↓
Hi High (pH 8-9.5) 1.89 6.31 -37.66 2 3 1 26 255.426 8 ↓
Mid Mid (pH 6-8) 1.89 5.93 -33.38 2 3 1 29 255.426 8 ↓

Analogs

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Popular Name: N-[[(3S)-3-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-3-yl]methyl]propan-2-amine N-[[(3S)-3-[[cyclobutylmethyl(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) 2.03 7.69 -98.5 3 3 2 30 256.434 7 ↓
Mid Mid (pH 6-8) 2.03 6.08 -37.67 2 3 1 29 255.426 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-3-yl]methyl]propan-2-amine N-[[(3R)-3-[[cyclobutylmethyl(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) 2.03 7.44 -104.58 3 3 2 30 256.434 7 ↓
Mid Mid (pH 6-8) 2.03 5.7 -31.22 2 3 1 29 255.426 7 ↓

Analogs

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Popular Name: N-[[(3S)-3-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-3-yl]methyl]-2-methyl-propan-2-ami N-[[(3S)-3-[[cyclobutylmethyl(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) 2.54 8.34 -97.07 3 3 2 30 270.461 7 ↓
Mid Mid (pH 6-8) 2.54 6.66 -36.2 2 3 1 29 269.453 7 ↓

Analogs

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Popular Name: N-[[(3R)-3-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-3-yl]methyl]-2-methyl-propan-2-ami N-[[(3R)-3-[[cyclobutylmethyl(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) 2.54 7.95 -102.35 3 3 2 30 270.461 7 ↓
Mid Mid (pH 6-8) 2.54 6.17 -30.69 2 3 1 29 269.453 7 ↓

Analogs

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Popular Name: N-[[(3S)-3-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-3-yl]methyl]-2-methyl-propan-1-ami N-[[(3S)-3-[[cyclobutylmethyl(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) 2.13 8.63 -102 3 3 2 30 270.461 8 ↓
Mid Mid (pH 6-8) 2.13 7.02 -39.84 2 3 1 29 269.453 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-3-yl]methyl]-2-methyl-propan-1-ami N-[[(3R)-3-[[cyclobutylmethyl(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) 2.13 8.36 -108.42 3 3 2 30 270.461 8 ↓
Mid Mid (pH 6-8) 2.13 6.62 -33.29 2 3 1 29 269.453 8 ↓

Analogs

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Popular Name: N-[[(3R)-3-(aminomethyl)tetrahydrofuran-3-yl]methyl]-1-cyclobutyl-N-methyl-methanamine N-[[(3R)-3-(aminomethyl)tetrahyd…

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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) 0.38 4.19 -110.12 4 3 2 41 214.353 5 ↓
Mid Mid (pH 6-8) 0.38 3.84 -37.72 3 3 1 40 213.345 5 ↓
Mid Mid (pH 6-8) 0.38 2.51 -39.15 3 3 1 40 213.345 5 ↓

Analogs

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Popular Name: N-[[(3S)-3-(aminomethyl)tetrahydrofuran-3-yl]methyl]-1-cyclobutyl-N-methyl-methanamine N-[[(3S)-3-(aminomethyl)tetrahyd…

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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) 0.38 4 -114.66 4 3 2 41 214.353 5 ↓
Mid Mid (pH 6-8) 0.38 3.68 -36.91 3 3 1 40 213.345 5 ↓
Mid Mid (pH 6-8) 0.38 2.88 -46.16 3 3 1 40 213.345 5 ↓

Analogs

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Popular Name: (3R)-3-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-3-carboxylic (3R)-3-[[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) 0.82 6.54 -41.91 1 4 0 54 227.304 5 ↓
Hi High (pH 8-9.5) 0.82 4.58 -48.23 0 4 -1 53 226.296 5 ↓

Analogs

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Popular Name: (3S)-3-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-3-carboxylic (3S)-3-[[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) 0.82 6.47 -34.2 1 4 0 54 227.304 5 ↓
Hi High (pH 8-9.5) 0.82 3.5 -42.1 0 4 -1 53 226.296 5 ↓

Analogs

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Popular Name: [(3S)-3-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-3-yl]methanol [(3S)-3-[[cyclobutylmethyl(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) 0.94 3.31 -40.9 2 3 1 34 214.329 5 ↓
Hi High (pH 8-9.5) 0.94 1.53 -3.93 1 3 0 33 213.321 5 ↓

Analogs

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Popular Name: [(3R)-3-[[cyclobutylmethyl(methyl)amino]methyl]tetrahydrofuran-3-yl]methanol [(3R)-3-[[cyclobutylmethyl(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) 0.94 3.35 -38.96 2 3 1 34 214.329 5 ↓
Hi High (pH 8-9.5) 0.94 1.48 -3.11 1 3 0 33 213.321 5 ↓

Analogs

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Popular Name: 1-cyclobutyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]methanamine 1-cyclobutyl-N-[[(3S)-tetrahydro…

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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) 1.28 4.43 -40.38 2 2 1 26 170.276 4 ↓

Analogs

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Popular Name: 1-cyclobutyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]methanamine 1-cyclobutyl-N-[[(3R)-tetrahydro…

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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) 1.28 4.45 -41.15 2 2 1 26 170.276 4 ↓

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