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Analogs

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Popular Name: (2R)-2-amino-N-(cyclopropylmethyl)-2-phenyl-propanamide (2R)-2-amino-N-(cyclopropylmethy…

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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) 1.73 3.55 -6.76 3 3 0 55 218.3 4 ↓
Mid Mid (pH 6-8) 1.73 3.85 -51.37 4 3 1 57 219.308 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-propanamide (2S)-2-amino-N-(cyclopropylmethy…

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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) 1.73 3.62 -7.77 3 3 0 55 218.3 4 ↓
Mid Mid (pH 6-8) 1.73 3.85 -51.06 4 3 1 57 219.308 4 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[(1S)-1-cyclopropylethyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1S)-1-cycloprop…

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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) 2.06 4.16 -6.63 3 3 0 55 232.327 4 ↓
Mid Mid (pH 6-8) 2.06 4.46 -51.01 4 3 1 57 233.335 4 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[(1R)-1-cyclopropylethyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1R)-1-cycloprop…

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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) 2.06 4.28 -6.74 3 3 0 55 232.327 4 ↓
Mid Mid (pH 6-8) 2.06 4.58 -51.34 4 3 1 57 233.335 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[(1S)-1-cyclopropylethyl]-2-phenyl-propanamide (2S)-2-amino-N-[(1S)-1-cycloprop…

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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) 2.06 4.23 -7.66 3 3 0 55 232.327 4 ↓
Mid Mid (pH 6-8) 2.06 4.46 -50.71 4 3 1 57 233.335 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[(1R)-1-cyclopropylethyl]-2-phenyl-propanamide (2S)-2-amino-N-[(1R)-1-cycloprop…

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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) 2.06 4.35 -7.83 3 3 0 55 232.327 4 ↓
Mid Mid (pH 6-8) 2.06 4.58 -51.13 4 3 1 57 233.335 4 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[(1S)-1-cyclopropylethyl]-N-methyl-2-phenyl-propanamide (2R)-2-amino-N-[(1S)-1-cycloprop…

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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) 2.30 5.85 -7.15 2 3 0 46 246.354 4 ↓
Mid Mid (pH 6-8) 2.30 6.02 -47.02 3 3 1 48 247.362 4 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[(1R)-1-cyclopropylethyl]-N-methyl-2-phenyl-propanamide (2R)-2-amino-N-[(1R)-1-cycloprop…

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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) 2.30 5.9 -7.06 2 3 0 46 246.354 4 ↓
Mid Mid (pH 6-8) 2.30 6.06 -46.9 3 3 1 48 247.362 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[(1S)-1-cyclopropylethyl]-N-methyl-2-phenyl-propanamide (2S)-2-amino-N-[(1S)-1-cycloprop…

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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) 2.30 6.21 -7.38 2 3 0 46 246.354 4 ↓
Mid Mid (pH 6-8) 2.30 5.88 -44.29 3 3 1 48 247.362 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[(1R)-1-cyclopropylethyl]-N-methyl-2-phenyl-propanamide (2S)-2-amino-N-[(1R)-1-cycloprop…

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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) 2.30 6.27 -7.54 2 3 0 46 246.354 4 ↓
Mid Mid (pH 6-8) 2.30 5.93 -44.72 3 3 1 48 247.362 4 ↓

Analogs

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Popular Name: (2R)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propyl-propanamide (2R)-2-amino-N-(cyclopropylmethy…

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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) 2.85 7.36 -7.46 2 3 0 46 260.381 6 ↓
Mid Mid (pH 6-8) 2.85 7.53 -42.32 3 3 1 48 261.389 6 ↓

Analogs

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Popular Name: (2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propyl-propanamide (2S)-2-amino-N-(cyclopropylmethy…

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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) 2.85 7.55 -7.55 2 3 0 46 260.381 6 ↓
Mid Mid (pH 6-8) 2.85 7.69 -44.47 3 3 1 48 261.389 6 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[(1S)-1-cyclopropylethyl]-N-(2-methoxyethyl)-2-phenyl-propanamide (2R)-2-amino-N-[(1S)-1-cycloprop…

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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) 2.29 6.57 -5.73 2 4 0 56 290.407 7 ↓
Mid Mid (pH 6-8) 2.29 6.8 -36.95 3 4 1 57 291.415 7 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[(1R)-1-cyclopropylethyl]-N-(2-methoxyethyl)-2-phenyl-propanamide (2R)-2-amino-N-[(1R)-1-cycloprop…

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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) 2.29 6.7 -6.38 2 4 0 56 290.407 7 ↓
Mid Mid (pH 6-8) 2.29 6.94 -37.51 3 4 1 57 291.415 7 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[(1S)-1-cyclopropylethyl]-N-(2-methoxyethyl)-2-phenyl-propanamide (2S)-2-amino-N-[(1S)-1-cycloprop…

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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) 2.29 7.3 -6.48 2 4 0 56 290.407 7 ↓
Mid Mid (pH 6-8) 2.29 7.43 -40.55 3 4 1 57 291.415 7 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[(1R)-1-cyclopropylethyl]-N-(2-methoxyethyl)-2-phenyl-propanamide (2S)-2-amino-N-[(1R)-1-cycloprop…

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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) 2.29 7.45 -7.18 2 4 0 56 290.407 7 ↓
Mid Mid (pH 6-8) 2.29 7.57 -41.03 3 4 1 57 291.415 7 ↓

Analogs

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Popular Name: (2R)-2-amino-N-(cyclopropylmethyl)-N-methyl-2-phenyl-propanamide (2R)-2-amino-N-(cyclopropylmethy…

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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 5.43 -5.79 2 3 0 46 232.327 4 ↓
Mid Mid (pH 6-8) 1.97 5.63 -44.45 3 3 1 48 233.335 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-(cyclopropylmethyl)-N-methyl-2-phenyl-propanamide (2S)-2-amino-N-(cyclopropylmethy…

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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 5.45 -7.89 2 3 0 46 232.327 4 ↓
Mid Mid (pH 6-8) 1.97 5.81 -48.18 3 3 1 48 233.335 4 ↓

Analogs

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Popular Name: (2S)-2-[[(2R)-2-amino-2-phenyl-propanoyl]amino]-2-cyclopropyl-propanoic (2S)-2-[[(2R)-2-amino-2-phenyl-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) -0.57 5.18 -54.27 3 5 -1 95 275.328 5 ↓
Mid Mid (pH 6-8) -0.57 5.48 -67.95 4 5 0 97 276.336 5 ↓

Analogs

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Popular Name: (2S)-2-[[(2S)-2-amino-2-phenyl-propanoyl]amino]-2-cyclopropyl-propanoic (2S)-2-[[(2S)-2-amino-2-phenyl-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) -0.57 5.24 -55.65 3 5 -1 95 275.328 5 ↓
Mid Mid (pH 6-8) -0.57 5.48 -75.59 4 5 0 97 276.336 5 ↓

Analogs

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Popular Name: (2R)-2-[[(2R)-2-amino-2-phenyl-propanoyl]amino]-2-cyclopropyl-propanoic (2R)-2-[[(2R)-2-amino-2-phenyl-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) -0.57 5.17 -56.8 3 5 -1 95 275.328 5 ↓
Mid Mid (pH 6-8) -0.57 5.48 -77.38 4 5 0 97 276.336 5 ↓

Analogs

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Popular Name: (2R)-2-[[(2S)-2-amino-2-phenyl-propanoyl]amino]-2-cyclopropyl-propanoic (2R)-2-[[(2S)-2-amino-2-phenyl-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) -0.57 5.23 -54.84 3 5 -1 95 275.328 5 ↓
Mid Mid (pH 6-8) -0.57 5.47 -68.98 4 5 0 97 276.336 5 ↓

Analogs

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Popular Name: 2-[[(2R)-2-amino-2-phenyl-propanoyl]-(cyclopropylmethyl)amino]acetic 2-[[(2R)-2-amino-2-phenyl-propan…

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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) 0.31 7.42 -44.54 2 5 -1 86 275.328 6 ↓
Mid Mid (pH 6-8) 0.31 7.42 -28.81 3 5 0 88 276.336 6 ↓

Analogs

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Popular Name: 2-[[(2S)-2-amino-2-phenyl-propanoyl]-(cyclopropylmethyl)amino]acetic 2-[[(2S)-2-amino-2-phenyl-propan…

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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) 0.31 6.98 -40.64 2 5 -1 86 275.328 6 ↓
Mid Mid (pH 6-8) 0.31 7.19 -28.52 3 5 0 88 276.336 6 ↓

Analogs

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Popular Name: (2R)-2-amino-N-(cyclopropylmethyl)-N-isopropyl-2-phenyl-propanamide (2R)-2-amino-N-(cyclopropylmethy…

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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 7.17 -6.39 2 3 0 46 260.381 5 ↓
Mid Mid (pH 6-8) 2.65 7.36 -41.77 3 3 1 48 261.389 5 ↓

Analogs

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Popular Name: (2S)-2-amino-N-(cyclopropylmethyl)-N-isopropyl-2-phenyl-propanamide (2S)-2-amino-N-(cyclopropylmethy…

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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 7.42 -6.37 2 3 0 46 260.381 5 ↓
Mid Mid (pH 6-8) 2.65 7.58 -43.56 3 3 1 48 261.389 5 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(1S)-1-cyclopropylethyl]acetamide 2-(3-aminophenyl)-N-[(1S)-1-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) 1.48 4.31 -9.09 3 3 0 55 218.3 4 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(1R)-1-cyclopropylethyl]acetamide 2-(3-aminophenyl)-N-[(1R)-1-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) 1.48 4.43 -9.3 3 3 0 55 218.3 4 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(1S)-1-cyclopropylethyl]-N-methyl-acetamide 2-(3-aminophenyl)-N-[(1S)-1-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) 1.72 6.16 -9.52 2 3 0 46 232.327 4 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(1R)-1-cyclopropylethyl]-N-methyl-acetamide 2-(3-aminophenyl)-N-[(1R)-1-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) 1.72 6.22 -9.77 2 3 0 46 232.327 4 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-(cyclopropylmethyl)-N-propyl-acetamide 2-(3-aminophenyl)-N-(cyclopropyl…

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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) 2.27 7.51 -8.9 2 3 0 46 246.354 6 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-(cyclopropylmethyl)-N-methyl-acetamide 2-(3-aminophenyl)-N-(cyclopropyl…

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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 5.84 -9.76 2 3 0 46 218.3 4 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(1S)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide 2-(3-aminophenyl)-N-[(1S)-1-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) 2.64 6.96 -10.45 2 3 0 46 300.324 6 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide 2-(3-aminophenyl)-N-[(1R)-1-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) 2.64 7.22 -10.38 2 3 0 46 300.324 6 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(1S)-1-cyclopropylethyl]-N-(2-methoxyethyl)acetamide 2-(3-aminophenyl)-N-[(1S)-1-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) 1.70 6.79 -10.42 2 4 0 56 276.38 7 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(1R)-1-cyclopropylethyl]-N-(2-methoxyethyl)acetamide 2-(3-aminophenyl)-N-[(1R)-1-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) 1.70 7.21 -10.29 2 4 0 56 276.38 7 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-(cyclopropylmethyl)-N-isopropyl-acetamide 2-(3-aminophenyl)-N-(cyclopropyl…

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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) 2.06 7.04 -8.87 2 3 0 46 246.354 5 ↓

Analogs

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Popular Name: (2R)-2-[[2-(3-chlorophenyl)acetyl]amino]-2-cyclopropyl-propanoic (2R)-2-[[2-(3-chlorophenyl)acety…

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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) 0.45 7.99 -54.58 1 4 -1 69 280.731 5 ↓

Analogs

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Popular Name: (2S)-2-[[2-(3-chlorophenyl)acetyl]amino]-2-cyclopropyl-propanoic (2S)-2-[[2-(3-chlorophenyl)acety…

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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) 0.45 7.99 -56.13 1 4 -1 69 280.731 5 ↓

Analogs

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Popular Name: 2-[[2-(3-chlorophenyl)acetyl]-(cyclopropylmethyl)amino]acetic 2-[[2-(3-chlorophenyl)acetyl]-(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) 1.32 9.75 -43.48 0 4 -1 60 280.731 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) 2.19 9.82 -16.16 0 6 0 65 349.427 11 ↓

Analogs

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Popular Name: 2-(4-aminophenyl)-N-(cyclopropylmethyl)-N-ethyl-acetamide 2-(4-aminophenyl)-N-(cyclopropyl…

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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) 1.79 6.76 -9.08 2 3 0 46 232.327 5 ↓

Analogs

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Popular Name: 2-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethyl-acetamide 2-(2-aminophenyl)-N-(cyclopropyl…

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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) 2.15 6.86 -8.86 2 3 0 46 232.327 5 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-(cyclopropylmethyl)-N-ethyl-acetamide 2-(3-aminophenyl)-N-(cyclopropyl…

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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) 1.77 6.75 -9.26 2 3 0 46 232.327 5 ↓

Analogs

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Popular Name: 2-[4-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-ethyl-acetamide 2-[4-(aminomethyl)phenyl]-N-(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) 1.90 6.93 -45.61 3 3 1 48 247.362 6 ↓
Hi High (pH 8-9.5) 1.90 6.52 -9.07 2 3 0 46 246.354 6 ↓

Analogs

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Popular Name: (2R)-2-chloro-N-(cyclopropylmethyl)-N-ethyl-2-phenyl-acetamide (2R)-2-chloro-N-(cyclopropylmeth…

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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) 3.10 9.3 -8.27 0 2 0 20 251.757 5 ↓

Analogs

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Popular Name: (2S)-2-chloro-N-(cyclopropylmethyl)-N-ethyl-2-phenyl-acetamide (2S)-2-chloro-N-(cyclopropylmeth…

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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) 3.10 9.27 -8.6 0 2 0 20 251.757 5 ↓

Analogs

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Popular Name: (2R)-2-amino-N-(cyclopropylmethyl)-N-ethyl-2-phenyl-acetamide (2R)-2-amino-N-(cyclopropylmethy…

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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) 0.02 5.44 -7.62 2 3 0 46 232.327 5 ↓
Mid Mid (pH 6-8) 0.02 5.76 -42.05 3 3 1 48 233.335 5 ↓

Analogs

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Popular Name: (2R)-2-amino-N-(cyclopropylmethyl)-N-ethyl-2-phenyl-propanamide (2R)-2-amino-N-(cyclopropylmethy…

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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) 2.35 6.61 -7.54 2 3 0 46 246.354 5 ↓
Mid Mid (pH 6-8) 2.35 6.78 -42.23 3 3 1 48 247.362 5 ↓

Analogs

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Popular Name: (2S)-2-amino-N-(cyclopropylmethyl)-N-ethyl-2-phenyl-propanamide (2S)-2-amino-N-(cyclopropylmethy…

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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) 2.35 6.78 -7.57 2 3 0 46 246.354 5 ↓
Mid Mid (pH 6-8) 2.35 6.93 -44.25 3 3 1 48 247.362 5 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 30404 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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