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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: (1S,2R)-2-(cyclobutylmethylamino)cyclopentanecarbonitrile (1S,2R)-2-(cyclobutylmethylamino…

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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 6.55 -41.64 2 2 1 40 179.287 3 ↓
Hi High (pH 8-9.5) 2.19 5.64 -5.62 1 2 0 36 178.279 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(cyclobutylmethylamino)cyclopentanecarbonitrile (1S,2S)-2-(cyclobutylmethylamino…

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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 6.42 -46.21 2 2 1 40 179.287 3 ↓
Hi High (pH 8-9.5) 2.19 5.21 -4.26 1 2 0 36 178.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(cyclobutylmethylamino)cyclopentanecarbonitrile (1R,2R)-2-(cyclobutylmethylamino…

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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 6.44 -45.52 2 2 1 40 179.287 3 ↓
Hi High (pH 8-9.5) 2.19 5.3 -5.24 1 2 0 36 178.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(cyclobutylmethylamino)cyclopentanecarbonitrile (1R,2S)-2-(cyclobutylmethylamino…

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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 6.56 -42.82 2 2 1 40 179.287 3 ↓
Hi High (pH 8-9.5) 2.19 5.45 -6.31 1 2 0 36 178.279 3 ↓

Analogs

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Popular Name: (1R,2R)-2-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-cyclopentanamine (1R,2R)-2-(aminomethyl)-N-(cyclo…

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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) 1.46 5.67 -109.8 4 2 2 32 198.354 4 ↓
Hi High (pH 8-9.5) 1.46 5.29 -31.73 3 2 1 30 197.346 4 ↓
Mid Mid (pH 6-8) 1.46 4.34 -41.36 3 2 1 31 197.346 4 ↓

Analogs

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Popular Name: (1S,2R)-2-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-cyclopentanamine (1S,2R)-2-(aminomethyl)-N-(cyclo…

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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) 1.46 5.82 -105.41 4 2 2 32 198.354 4 ↓
Hi High (pH 8-9.5) 1.46 5.44 -31.11 3 2 1 30 197.346 4 ↓
Mid Mid (pH 6-8) 1.46 3.55 -43.16 3 2 1 31 197.346 4 ↓

Analogs

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Popular Name: 1-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-cyclopentanamine 1-(aminomethyl)-N-(cyclobutylmet…

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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) 1.66 5.8 -116.91 4 2 2 32 198.354 4 ↓
Mid Mid (pH 6-8) 1.66 5.32 -27.38 3 2 1 30 197.346 4 ↓
Mid Mid (pH 6-8) 1.66 3.87 -41.34 3 2 1 31 197.346 4 ↓

Analogs

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Popular Name: (1R,2S)-N2-(cyclobutylmethyl)-N1,N2-dimethyl-cyclopentane-1,2-diamine (1R,2S)-N2-(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) 2.05 7.13 -30.15 2 2 1 16 197.346 4 ↓
Lo Low (pH 4.5-6) 2.05 7.6 -108.61 3 2 2 21 198.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-(cyclobutylmethyl)-N1,N2-dimethyl-cyclopentane-1,2-diamine (1S,2S)-N2-(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) 2.05 5.74 -30.06 2 2 1 16 197.346 4 ↓
Lo Low (pH 4.5-6) 2.05 6.95 -106.87 3 2 2 21 198.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N2-(cyclobutylmethyl)-N1,N2-dimethyl-cyclopentane-1,2-diamine (1R,2R)-N2-(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) 2.05 5.88 -32.38 2 2 1 16 197.346 4 ↓
Lo Low (pH 4.5-6) 2.05 7.03 -107.74 3 2 2 21 198.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-(cyclobutylmethyl)-N1,N2-dimethyl-cyclopentane-1,2-diamine (1S,2R)-N2-(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) 2.05 7.56 -28.42 2 2 1 16 197.346 4 ↓
Lo Low (pH 4.5-6) 2.05 7.67 -109.93 3 2 2 21 198.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N1-(cyclobutylmethyl)-N1-methyl-cyclopentane-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) 1.14 5.83 -116.12 4 2 2 32 184.327 3 ↓
Hi High (pH 8-9.5) 1.14 4.24 -36.7 3 2 1 31 183.319 3 ↓
Mid Mid (pH 6-8) 1.14 5.56 -29.08 3 2 1 30 183.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N1-(cyclobutylmethyl)-N1-methyl-cyclopentane-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) 1.14 5.12 -112.61 4 2 2 32 184.327 3 ↓
Hi High (pH 8-9.5) 1.14 2.86 -40.84 3 2 1 31 183.319 3 ↓
Mid Mid (pH 6-8) 1.14 5 -31.56 3 2 1 30 183.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N2-(cyclobutylmethyl)-N1-ethyl-N2-methyl-cyclopentane-1,2-diamine (1R,2S)-N2-(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) 2.43 8.02 -30.12 2 2 1 16 211.373 5 ↓
Mid Mid (pH 6-8) 2.43 8.48 -108.92 3 2 2 21 212.381 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-(cyclobutylmethyl)-N1-ethyl-N2-methyl-cyclopentane-1,2-diamine (1S,2S)-N2-(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) 2.43 6.77 -30.06 2 2 1 16 211.373 5 ↓
Mid Mid (pH 6-8) 2.43 7.89 -107.1 3 2 2 21 212.381 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N2-(cyclobutylmethyl)-N1-ethyl-N2-methyl-cyclopentane-1,2-diamine (1R,2R)-N2-(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) 2.43 6.91 -32.49 2 2 1 16 211.373 5 ↓
Mid Mid (pH 6-8) 2.43 7.96 -107.33 3 2 2 21 212.381 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-(cyclobutylmethyl)-N1-ethyl-N2-methyl-cyclopentane-1,2-diamine (1S,2R)-N2-(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) 2.43 8.53 -28.33 2 2 1 16 211.373 5 ↓
Mid Mid (pH 6-8) 2.43 8.57 -105.96 3 2 2 21 212.381 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N2-(cyclobutylmethyl)-N2-methyl-N1-propyl-cyclopentane-1,2-diamine (1R,2S)-N2-(cyclobutylmethyl)-N2…

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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) 2.93 8.79 -30.48 2 2 1 16 225.4 6 ↓
Mid Mid (pH 6-8) 2.93 9.24 -111.18 3 2 2 21 226.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-(cyclobutylmethyl)-N2-methyl-N1-propyl-cyclopentane-1,2-diamine (1S,2S)-N2-(cyclobutylmethyl)-N2…

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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) 2.93 7.53 -30.17 2 2 1 16 225.4 6 ↓
Mid Mid (pH 6-8) 2.93 8.64 -109.21 3 2 2 21 226.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N2-(cyclobutylmethyl)-N2-methyl-N1-propyl-cyclopentane-1,2-diamine (1R,2R)-N2-(cyclobutylmethyl)-N2…

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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) 2.93 7.57 -32.76 2 2 1 16 225.4 6 ↓
Mid Mid (pH 6-8) 2.93 8.63 -109.54 3 2 2 21 226.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-(cyclobutylmethyl)-N2-methyl-N1-propyl-cyclopentane-1,2-diamine (1S,2R)-N2-(cyclobutylmethyl)-N2…

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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) 2.93 9.29 -28.81 2 2 1 16 225.4 6 ↓
Mid Mid (pH 6-8) 2.93 9.33 -108.02 3 2 2 21 226.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[cyclobutylmethyl(methyl)amino]cyclopentanecarbonitrile (1S,2R)-2-[cyclobutylmethyl(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) 2.44 7.92 -36.02 1 2 1 28 193.314 3 ↓
Hi High (pH 8-9.5) 2.44 6.18 -5.46 0 2 0 27 192.306 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[cyclobutylmethyl(methyl)amino]cyclopentanecarbonitrile (1S,2S)-2-[cyclobutylmethyl(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) 2.44 8.18 -42.77 1 2 1 28 193.314 3 ↓
Hi High (pH 8-9.5) 2.44 5.92 -4.25 0 2 0 27 192.306 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[cyclobutylmethyl(methyl)amino]cyclopentanol (1S,2R)-2-[cyclobutylmethyl(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) 1.64 5.27 -28.42 2 2 1 25 184.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[cyclobutylmethyl(methyl)amino]cyclopentanol (1S,2S)-2-[cyclobutylmethyl(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) 1.64 4.7 -31.16 2 2 1 25 184.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclobutylmethyl)cyclopentanamine N-(cyclobutylmethyl)cyclopentana…

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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 6.18 -35.01 2 1 1 17 154.277 3 ↓

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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