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

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 1.78 9.21 -96.62 3 5 2 62 281.4 9 ↓
Hi High (pH 8-9.5) 1.78 7.2 -9.06 1 5 0 56 279.384 9 ↓
Mid Mid (pH 6-8) 1.78 7.66 -30.86 2 5 1 57 280.392 9 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.78 9.15 -88.99 3 5 2 62 281.4 9 ↓
Hi High (pH 8-9.5) 1.78 7.17 -11.15 1 5 0 56 279.384 9 ↓
Mid Mid (pH 6-8) 1.78 8.69 -45.66 2 5 1 61 280.392 9 ↓

Analogs

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Popular Name: methyl 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) 1.41 7.38 -30.87 2 5 1 57 266.365 8 ↓
Hi High (pH 8-9.5) 1.41 6.89 -8.88 1 5 0 56 265.357 8 ↓
Mid Mid (pH 6-8) 1.41 8.25 -96.41 3 5 2 62 267.373 8 ↓

Analogs

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Popular Name: methyl 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) 1.41 7.31 -35.72 2 5 1 57 266.365 8 ↓
Hi High (pH 8-9.5) 1.41 6.83 -11.71 1 5 0 56 265.357 8 ↓
Mid Mid (pH 6-8) 1.41 8.18 -97.16 3 5 2 62 267.373 8 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-(2-isopropylimidazol-1-yl)butanoic (2S)-2-(cyclopropylamino)-4-(2-i…

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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 8.26 -69.58 3 5 1 76 252.338 7 ↓
Mid Mid (pH 6-8) -0.66 7.79 -42.43 2 5 0 75 251.33 7 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-4-(2-isopropylimidazol-1-yl)butanoic (2R)-2-(cyclopropylamino)-4-(2-i…

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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 8.16 -68.04 3 5 1 76 252.338 7 ↓
Mid Mid (pH 6-8) -0.66 7.69 -41.38 2 5 0 75 251.33 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-(2-isopropylimidazol-1-yl)butanamide (2S)-2-(cyclopropylamino)-4-(2-i…

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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) 0.84 4.33 -98.18 5 5 2 79 252.362 7 ↓
Hi High (pH 8-9.5) 0.84 2.94 -11.67 3 5 0 73 250.346 7 ↓
Mid Mid (pH 6-8) 0.84 3.86 -51.23 4 5 1 78 251.354 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-(2-isopropylimidazol-1-yl)butanamide (2R)-2-(cyclopropylamino)-4-(2-i…

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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) 0.84 4.33 -98.33 5 5 2 79 252.362 7 ↓
Hi High (pH 8-9.5) 0.84 2.88 -14.18 3 5 0 73 250.346 7 ↓
Mid Mid (pH 6-8) 0.84 3.86 -51.63 4 5 1 78 251.354 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.64 8.39 -100.98 3 5 2 62 239.319 8 ↓
Mid Mid (pH 6-8) 0.64 7.88 -49.38 2 5 1 61 238.311 8 ↓
Mid Mid (pH 6-8) 0.64 6.46 -9.23 1 5 0 56 237.303 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.64 8.36 -91.98 3 5 2 62 239.319 8 ↓
Mid Mid (pH 6-8) 0.64 6.33 -11.37 1 5 0 56 237.303 8 ↓
Mid Mid (pH 6-8) 0.64 6.84 -40.21 2 5 1 57 238.311 8 ↓

Analogs

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Popular Name: methyl 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) 0.26 6.5 -40.29 2 5 1 57 224.284 7 ↓
Mid Mid (pH 6-8) 0.26 6.86 -49.71 2 5 1 61 224.284 7 ↓
Mid Mid (pH 6-8) 0.26 7.37 -101.42 3 5 2 62 225.292 7 ↓

Analogs

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Popular Name: methyl 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) 0.26 6.57 -35.93 2 5 1 57 224.284 7 ↓
Mid Mid (pH 6-8) 0.26 7.45 -99.67 3 5 2 62 225.292 7 ↓
Mid Mid (pH 6-8) 0.26 6.06 -9.01 1 5 0 56 223.276 7 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-imidazol-1-yl-butanoic (2S)-2-(cyclopropylamino)-4-imid…

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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) -1.81 7.46 -76.54 3 5 1 76 210.257 6 ↓
Hi High (pH 8-9.5) -1.81 5.94 -44.21 1 5 -1 70 208.241 6 ↓
Mid Mid (pH 6-8) -1.81 6.94 -43.17 2 5 0 75 209.249 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-imidazol-1-yl-butanoic (2R)-2-(cyclopropylamino)-4-imid…

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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) -1.81 7.35 -71.63 3 5 1 76 210.257 6 ↓
Hi High (pH 8-9.5) -1.81 5.93 -49.25 1 5 -1 70 208.241 6 ↓
Mid Mid (pH 6-8) -1.81 6.83 -41.79 2 5 0 75 209.249 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-imidazol-1-yl-butanamide (2S)-2-(cyclopropylamino)-4-imid…

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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) -0.30 3.53 -102.15 5 5 2 79 210.281 6 ↓
Hi High (pH 8-9.5) -0.30 2.1 -11.62 3 5 0 73 208.265 6 ↓
Mid Mid (pH 6-8) -0.30 3.02 -49.99 4 5 1 78 209.273 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-imidazol-1-yl-butanamide (2R)-2-(cyclopropylamino)-4-imid…

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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) -0.30 3.52 -101.69 5 5 2 79 210.281 6 ↓
Hi High (pH 8-9.5) -0.30 2.03 -14.84 3 5 0 73 208.265 6 ↓
Mid Mid (pH 6-8) -0.30 3.01 -50.39 4 5 1 78 209.273 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.73 8.15 -97.42 3 5 2 62 253.346 8 ↓
Hi High (pH 8-9.5) 0.73 6.16 -9.5 1 5 0 56 251.33 8 ↓
Mid Mid (pH 6-8) 0.73 6.64 -32.05 2 5 1 57 252.338 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.73 8.11 -89.21 3 5 2 62 253.346 8 ↓
Hi High (pH 8-9.5) 0.73 6.11 -11.72 1 5 0 56 251.33 8 ↓
Mid Mid (pH 6-8) 0.73 6.58 -36.66 2 5 1 57 252.338 8 ↓

Analogs

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Popular Name: methyl 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) 0.35 6.33 -32.5 2 5 1 57 238.311 7 ↓
Hi High (pH 8-9.5) 0.35 5.2 -11.95 1 5 0 56 237.303 7 ↓
Mid Mid (pH 6-8) 0.35 7.2 -96.43 3 5 2 62 239.319 7 ↓

Analogs

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Popular Name: methyl 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) 0.35 6.27 -36.83 2 5 1 57 238.311 7 ↓
Hi High (pH 8-9.5) 0.35 5.24 -9.73 1 5 0 56 237.303 7 ↓
Mid Mid (pH 6-8) 0.35 7.12 -97.9 3 5 2 62 239.319 7 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-(2-methylimidazol-1-yl)butanoic (2S)-2-(cyclopropylamino)-4-(2-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) -1.72 7.15 -69.59 3 5 1 76 224.284 6 ↓
Mid Mid (pH 6-8) -1.72 6.67 -42.71 2 5 0 75 223.276 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-(2-methylimidazol-1-yl)butanoic (2R)-2-(cyclopropylamino)-4-(2-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) -1.72 7.18 -70.54 3 5 1 76 224.284 6 ↓
Mid Mid (pH 6-8) -1.72 6.7 -42.22 2 5 0 75 223.276 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-(2-methylimidazol-1-yl)butanamide (2S)-2-(cyclopropylamino)-4-(2-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) -0.22 3.28 -98.48 5 5 2 79 224.308 6 ↓
Hi High (pH 8-9.5) -0.22 1.89 -12.19 3 5 0 73 222.292 6 ↓
Mid Mid (pH 6-8) -0.22 2.81 -51.14 4 5 1 78 223.3 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-(2-methylimidazol-1-yl)butanamide (2R)-2-(cyclopropylamino)-4-(2-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) -0.22 3.27 -98.85 5 5 2 79 224.308 6 ↓
Hi High (pH 8-9.5) -0.22 1.83 -14.9 3 5 0 73 222.292 6 ↓
Mid Mid (pH 6-8) -0.22 2.8 -51.43 4 5 1 78 223.3 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.30 8.59 -89.29 3 5 2 62 267.373 9 ↓
Hi High (pH 8-9.5) 1.30 6.72 -11.42 1 5 0 56 265.357 9 ↓
Mid Mid (pH 6-8) 1.30 7.07 -36.09 2 5 1 57 266.365 9 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.30 8.63 -96.82 3 5 2 62 267.373 9 ↓
Hi High (pH 8-9.5) 1.30 6.76 -9.35 1 5 0 56 265.357 9 ↓
Mid Mid (pH 6-8) 1.30 7.1 -31.69 2 5 1 57 266.365 9 ↓

Analogs

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Popular Name: methyl 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) 0.92 6.8 -31.8 2 5 1 57 252.338 8 ↓
Hi High (pH 8-9.5) 0.92 5.8 -11.62 1 5 0 56 251.33 8 ↓
Mid Mid (pH 6-8) 0.92 7.67 -96.42 3 5 2 62 253.346 8 ↓

Analogs

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Popular Name: methyl 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) 0.92 6.73 -36.55 2 5 1 57 252.338 8 ↓
Hi High (pH 8-9.5) 0.92 5.84 -9.64 1 5 0 56 251.33 8 ↓
Mid Mid (pH 6-8) 0.92 7.61 -97.39 3 5 2 62 253.346 8 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)butanoic (2S)-2-(cyclopropylamino)-4-(2-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) -1.15 7.62 -69.85 3 5 1 76 238.311 7 ↓
Mid Mid (pH 6-8) -1.15 7.26 -42.4 2 5 0 75 237.303 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)butanoic (2R)-2-(cyclopropylamino)-4-(2-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) -1.15 7.66 -69.86 3 5 1 76 238.311 7 ↓
Mid Mid (pH 6-8) -1.15 7.29 -41.9 2 5 0 75 237.303 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)butanamide (2S)-2-(cyclopropylamino)-4-(2-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) 0.36 3.76 -98.11 5 5 2 79 238.335 7 ↓
Hi High (pH 8-9.5) 0.36 2.49 -11.93 3 5 0 73 236.319 7 ↓
Mid Mid (pH 6-8) 0.36 3.41 -51.25 4 5 1 78 237.327 7 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)butanamide (2R)-2-(cyclopropylamino)-4-(2-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) 0.36 3.76 -98.43 5 5 2 79 238.335 7 ↓
Hi High (pH 8-9.5) 0.36 2.43 -14.66 3 5 0 73 236.319 7 ↓
Mid Mid (pH 6-8) 0.36 3.4 -51.7 4 5 1 78 237.327 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.08 9.41 -98.53 3 5 2 62 267.373 8 ↓
Hi High (pH 8-9.5) 1.08 7.44 -9.6 1 5 0 56 265.357 8 ↓
Mid Mid (pH 6-8) 1.08 7.9 -34.35 2 5 1 57 266.365 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.08 9.38 -93.66 3 5 2 62 267.373 8 ↓
Hi High (pH 8-9.5) 1.08 7.39 -11.72 1 5 0 56 265.357 8 ↓
Mid Mid (pH 6-8) 1.08 7.86 -37.3 2 5 1 57 266.365 8 ↓

Analogs

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Popular Name: methyl 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) 0.71 6.87 -37.64 2 5 1 57 252.338 7 ↓
Hi High (pH 8-9.5) 0.71 6.41 -12.03 1 5 0 56 251.33 7 ↓
Mid Mid (pH 6-8) 0.71 8.4 -100.57 3 5 2 62 253.346 7 ↓

Analogs

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Popular Name: methyl 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) 0.71 6.98 -34.67 2 5 1 57 252.338 7 ↓
Hi High (pH 8-9.5) 0.71 6.51 -9.95 1 5 0 56 251.33 7 ↓
Mid Mid (pH 6-8) 0.71 8.34 -99.01 3 5 2 62 253.346 7 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-(4,5-dimethylimidazol-1-yl)butanoic (2S)-2-(cyclopropylamino)-4-(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) -1.36 8.35 -74.8 3 5 1 76 238.311 6 ↓
Hi High (pH 8-9.5) -1.36 7.89 -42.7 2 5 0 75 237.303 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-(4,5-dimethylimidazol-1-yl)butanoic (2R)-2-(cyclopropylamino)-4-(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) -1.36 8.39 -70.08 3 5 1 76 238.311 6 ↓
Hi High (pH 8-9.5) -1.36 7.93 -42.49 2 5 0 75 237.303 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-(4,5-dimethylimidazol-1-yl)butanamide (2S)-2-(cyclopropylamino)-4-(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) 0.14 4.49 -101.46 5 5 2 79 238.335 6 ↓
Hi High (pH 8-9.5) 0.14 3.11 -12.26 3 5 0 73 236.319 6 ↓
Hi High (pH 8-9.5) 0.14 4.02 -50.48 4 5 1 78 237.327 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-(4,5-dimethylimidazol-1-yl)butanamide (2R)-2-(cyclopropylamino)-4-(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) 0.14 4.49 -100.87 5 5 2 79 238.335 6 ↓
Hi High (pH 8-9.5) 0.14 3.05 -14.84 3 5 0 73 236.319 6 ↓
Hi High (pH 8-9.5) 0.14 4.02 -51.01 4 5 1 78 237.327 6 ↓

Analogs

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Popular Name: N-[(3S)-3-imidazol-1-ylbutyl]cyclopropanamine N-[(3S)-3-imidazol-1-ylbutyl]cyc…

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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) 0.78 7.26 -89.53 3 3 2 36 181.283 5 ↓
Mid Mid (pH 6-8) 0.78 6.59 -45.58 2 3 1 34 180.275 5 ↓

Analogs

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Popular Name: N-[(3R)-3-imidazol-1-ylbutyl]cyclopropanamine N-[(3R)-3-imidazol-1-ylbutyl]cyc…

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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) 0.78 7.27 -89.6 3 3 2 36 181.283 5 ↓
Mid Mid (pH 6-8) 0.78 6.6 -45.49 2 3 1 34 180.275 5 ↓

Analogs

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Popular Name: N-[(2S)-3-imidazol-1-yl-2-methyl-propyl]cyclopropanamine N-[(2S)-3-imidazol-1-yl-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) 0.89 7.36 -90.02 3 3 2 36 181.283 5 ↓
Mid Mid (pH 6-8) 0.89 6.85 -45.06 2 3 1 34 180.275 5 ↓

Analogs

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Popular Name: N-[(2R)-3-imidazol-1-yl-2-methyl-propyl]cyclopropanamine N-[(2R)-3-imidazol-1-yl-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) 0.89 7.07 -88.52 3 3 2 36 181.283 5 ↓
Mid Mid (pH 6-8) 0.89 6.55 -45.06 2 3 1 34 180.275 5 ↓

Analogs

42409838
42409838

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-3-(2-methylimidazol-1-yl)butyl]cyclopropanamine N-[(3S)-3-(2-methylimidazol-1-yl…

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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) 0.87 6.99 -86.7 3 3 2 36 195.31 5 ↓
Hi High (pH 8-9.5) 0.87 6.51 -46.63 2 3 1 34 194.302 5 ↓

Analogs

42409838
42409838

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-3-(2-methylimidazol-1-yl)butyl]cyclopropanamine N-[(3R)-3-(2-methylimidazol-1-yl…

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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) 0.87 6.99 -86.89 3 3 2 36 195.31 5 ↓
Hi High (pH 8-9.5) 0.87 6.51 -46.82 2 3 1 34 194.302 5 ↓

Analogs

42409838
42409838

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclopropanamine N-[(2S)-2-methyl-3-(2-methylimid…

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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) 0.98 7.2 -87.41 3 3 2 36 195.31 5 ↓
Hi High (pH 8-9.5) 0.98 6.73 -46.59 2 3 1 34 194.302 5 ↓

Analogs

42409838
42409838

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclopropanamine N-[(2R)-2-methyl-3-(2-methylimid…

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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) 0.98 7.25 -87.32 3 3 2 36 195.31 5 ↓
Hi High (pH 8-9.5) 0.98 6.78 -46.41 2 3 1 34 194.302 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)propan-2-ol (2R)-1-(cyclopropylamino)-3-(2-p…

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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 4.73 -90.38 4 4 2 56 225.336 7 ↓
Mid Mid (pH 6-8) 0.66 4.52 -49.68 3 4 1 55 224.328 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)propan-2-ol (2S)-1-(cyclopropylamino)-3-(2-p…

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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 4.64 -89.91 4 4 2 56 225.336 7 ↓
Mid Mid (pH 6-8) 0.66 4.3 -49.46 3 4 1 55 224.328 7 ↓

Parameters Provided:

ring.id = 125087
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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