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Analogs

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Popular Name: 2-[(4-aminophenyl)methyl-[2-(cyclopropylamino)-2-oxo-ethyl]amino]acetamide 2-[(4-aminophenyl)methyl-[2-(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) -0.48 1.27 -41.9 6 6 1 103 277.348 7 ↓

Analogs

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Popular Name: (2S)-2-[(2-amino-2-oxo-ethyl)-[(4-aminophenyl)methyl]amino]-N-cyclopropyl-propanamide (2S)-2-[(2-amino-2-oxo-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) -0.65 1.48 -37.78 6 6 1 103 291.375 7 ↓

Analogs

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Popular Name: (2R)-2-[(2-amino-2-oxo-ethyl)-[(4-aminophenyl)methyl]amino]-N-cyclopropyl-propanamide (2R)-2-[(2-amino-2-oxo-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) -0.65 1.38 -30.74 6 6 1 103 291.375 7 ↓

Analogs

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Popular Name: 2-[(3-aminophenyl)methyl-[2-(cyclopropylamino)-2-oxo-ethyl]amino]acetamide 2-[(3-aminophenyl)methyl-[2-(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) -0.50 0.93 -33.65 6 6 1 103 277.348 7 ↓
Hi High (pH 8-9.5) -0.50 -1.17 -9.97 5 6 0 101 276.34 7 ↓

Analogs

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Popular Name: (2S)-2-[(2-amino-2-oxo-ethyl)-[(3-aminophenyl)methyl]amino]-N-cyclopropyl-propanamide (2S)-2-[(2-amino-2-oxo-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) -0.67 1.27 -35.35 6 6 1 103 291.375 7 ↓
Hi High (pH 8-9.5) -0.67 -0.28 -15.1 5 6 0 101 290.367 7 ↓

Analogs

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Popular Name: (2R)-2-[(2-amino-2-oxo-ethyl)-[(3-aminophenyl)methyl]amino]-N-cyclopropyl-propanamide (2R)-2-[(2-amino-2-oxo-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) -0.67 1.37 -30.94 6 6 1 103 291.375 7 ↓
Hi High (pH 8-9.5) -0.67 -0.3 -15.59 5 6 0 101 290.367 7 ↓

Analogs

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Popular Name: 2-[(2-aminophenyl)methyl-[2-(cyclopropylamino)-2-oxo-ethyl]amino]acetamide 2-[(2-aminophenyl)methyl-[2-(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) -0.12 1.17 -33.08 6 6 1 103 277.348 7 ↓
Hi High (pH 8-9.5) -0.12 -1.02 -8.96 5 6 0 101 276.34 7 ↓

Analogs

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Popular Name: (2S)-2-[(2-amino-2-oxo-ethyl)-[(2-aminophenyl)methyl]amino]-N-cyclopropyl-propanamide (2S)-2-[(2-amino-2-oxo-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) -0.29 2.11 -33.99 6 6 1 103 291.375 7 ↓
Hi High (pH 8-9.5) -0.29 0.01 -12.91 5 6 0 101 290.367 7 ↓

Analogs

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Popular Name: (2R)-2-[(2-amino-2-oxo-ethyl)-[(2-aminophenyl)methyl]amino]-N-cyclopropyl-propanamide (2R)-2-[(2-amino-2-oxo-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) -0.29 1.57 -30.5 6 6 1 103 291.375 7 ↓
Hi High (pH 8-9.5) -0.29 -0.39 -13.74 5 6 0 101 290.367 7 ↓

Analogs

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Popular Name: N-cyclopropyl-N-ethyl-2-[(3-nitrophenyl)methylamino]acetamide N-cyclopropyl-N-ethyl-2-[(3-nitr…

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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) 1.52 6.54 -14.01 1 6 0 78 277.324 7 ↓
Lo Low (pH 4.5-6) 1.52 7.9 -59.26 2 6 1 83 278.332 7 ↓

Analogs

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Popular Name: N-cyclopropyl-N-methyl-2-[(3-nitrophenyl)methylamino]acetamide N-cyclopropyl-N-methyl-2-[(3-nit…

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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 5.71 -14.91 1 6 0 78 263.297 6 ↓
Lo Low (pH 4.5-6) 1.15 7.06 -59.72 2 6 1 83 264.305 6 ↓

Analogs

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Popular Name: (2S)-N-cyclopropyl-2-[(3-nitrophenyl)methylamino]propanamide (2S)-N-cyclopropyl-2-[(3-nitroph…

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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) 1.23 4.68 -12.41 2 6 0 87 263.297 6 ↓
Lo Low (pH 4.5-6) 1.23 5.93 -55.18 3 6 1 92 264.305 6 ↓

Analogs

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Popular Name: (2R)-N-cyclopropyl-2-[(3-nitrophenyl)methylamino]propanamide (2R)-N-cyclopropyl-2-[(3-nitroph…

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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) 1.23 4.77 -15.3 2 6 0 87 263.297 6 ↓
Lo Low (pH 4.5-6) 1.23 5.93 -55.13 3 6 1 92 264.305 6 ↓

Analogs

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Popular Name: 2-[[2-(aminomethyl)phenyl]methyl-methyl-amino]-N-cyclopropyl-acetamide 2-[[2-(aminomethyl)phenyl]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) 0.85 4.57 -120.23 5 4 2 61 249.358 6 ↓
Hi High (pH 8-9.5) 0.85 4.2 -36.98 4 4 1 60 248.35 6 ↓
Hi High (pH 8-9.5) 0.85 2.67 -49.96 4 4 1 60 248.35 6 ↓

Analogs

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Popular Name: 2-[[4-(aminomethyl)phenyl]methyl-methyl-amino]-N-cyclopropyl-acetamide 2-[[4-(aminomethyl)phenyl]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) 0.90 4.53 -94.66 5 4 2 61 249.358 6 ↓
Hi High (pH 8-9.5) 0.90 4.13 -42.03 4 4 1 60 248.35 6 ↓
Hi High (pH 8-9.5) 0.90 2.29 -47.54 4 4 1 60 248.35 6 ↓

Analogs

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Popular Name: 2-[[4-(aminomethyl)-2-fluoro-phenyl]methyl-methyl-amino]-N-cyclopropyl-acetamide 2-[[4-(aminomethyl)-2-fluoro-phe…

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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) 0.99 4.59 -97.03 5 4 2 61 267.348 6 ↓
Hi High (pH 8-9.5) 0.99 2.34 -52.02 4 4 1 60 266.34 6 ↓
Hi High (pH 8-9.5) 0.99 4.19 -40.12 4 4 1 60 266.34 6 ↓

Analogs

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Popular Name: 2-[[5-(aminomethyl)-2-fluoro-phenyl]methyl-methyl-amino]-N-cyclopropyl-acetamide 2-[[5-(aminomethyl)-2-fluoro-phe…

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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) 0.99 4.62 -107.03 5 4 2 61 267.348 6 ↓
Hi High (pH 8-9.5) 0.99 2.14 -55.89 4 4 1 60 266.34 6 ↓

Analogs

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Popular Name: 2-[(4-cyano-2-fluoro-phenyl)methyl-methyl-amino]-N-cyclopropyl-acetamide 2-[(4-cyano-2-fluoro-phenyl)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) 1.56 4.7 -12.57 1 4 0 56 261.3 5 ↓

Analogs

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Popular Name: 2-[(5-cyano-2-fluoro-phenyl)methyl-methyl-amino]-N-cyclopropyl-acetamide 2-[(5-cyano-2-fluoro-phenyl)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) 1.56 4.49 -11.66 1 4 0 56 261.3 5 ↓

Analogs

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Popular Name: N-cyclopropyl-N-ethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide N-cyclopropyl-N-ethyl-2-[[4-(tri…

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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) 2.48 6.83 -9.35 1 3 0 32 300.324 7 ↓
Lo Low (pH 4.5-6) 2.48 8.09 -52.69 2 3 1 37 301.332 7 ↓

Analogs

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Popular Name: N-cyclopropyl-2-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]-N-methyl-acetamide N-cyclopropyl-2-[[(1R)-2-hydroxy…

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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) 0.76 2.79 -12.01 2 4 0 53 248.326 6 ↓
Mid Mid (pH 6-8) 0.76 3.88 -43.36 3 4 1 57 249.334 6 ↓

Analogs

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Popular Name: N-cyclopropyl-2-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]-N-methyl-acetamide N-cyclopropyl-2-[[(1S)-2-hydroxy…

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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) 0.76 2.7 -11.64 2 4 0 53 248.326 6 ↓
Mid Mid (pH 6-8) 0.76 3.87 -43.22 3 4 1 57 249.334 6 ↓

Analogs

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Popular Name: N-cyclopropyl-N-ethyl-2-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]acetamide N-cyclopropyl-N-ethyl-2-[[(1R)-2…

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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 3.6 -11.08 2 4 0 53 262.353 7 ↓
Mid Mid (pH 6-8) 1.14 4.62 -42.61 3 4 1 57 263.361 7 ↓

Analogs

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Popular Name: N-cyclopropyl-N-ethyl-2-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]acetamide N-cyclopropyl-N-ethyl-2-[[(1S)-2…

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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 3.51 -10.79 2 4 0 53 262.353 7 ↓
Mid Mid (pH 6-8) 1.14 4.61 -42.46 3 4 1 57 263.361 7 ↓

Analogs

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Popular Name: (2S)-N-cyclopropyl-2-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]propanamide (2S)-N-cyclopropyl-2-[[(1R)-2-hy…

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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) 0.85 1.74 -10.34 3 4 0 61 248.326 6 ↓
Mid Mid (pH 6-8) 0.85 2.74 -38.82 4 4 1 66 249.334 6 ↓

Analogs

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Popular Name: (2R)-N-cyclopropyl-2-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]propanamide (2R)-N-cyclopropyl-2-[[(1R)-2-hy…

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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) 0.85 1.84 -11.09 3 4 0 61 248.326 6 ↓
Mid Mid (pH 6-8) 0.85 2.62 -36.47 4 4 1 66 249.334 6 ↓

Analogs

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Popular Name: (2S)-N-cyclopropyl-2-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]propanamide (2S)-N-cyclopropyl-2-[[(1S)-2-hy…

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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) 0.85 1.69 -8.94 3 4 0 61 248.326 6 ↓
Mid Mid (pH 6-8) 0.85 2.64 -36.43 4 4 1 66 249.334 6 ↓

Analogs

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Popular Name: (2R)-N-cyclopropyl-2-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]propanamide (2R)-N-cyclopropyl-2-[[(1S)-2-hy…

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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) 0.85 1.73 -11.05 3 4 0 61 248.326 6 ↓
Mid Mid (pH 6-8) 0.85 2.72 -38.81 4 4 1 66 249.334 6 ↓

Analogs

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Popular Name: N-cyclopropyl-2-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]acetamide N-cyclopropyl-2-[[(1S)-2-hydroxy…

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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) 1.02 1.12 -11.25 3 4 0 61 234.299 6 ↓
Mid Mid (pH 6-8) 1.02 2.22 -43.09 4 4 1 66 235.307 6 ↓

Analogs

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Popular Name: N-cyclopropyl-2-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]acetamide N-cyclopropyl-2-[[(1R)-2-hydroxy…

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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) 1.02 1.02 -10.85 3 4 0 61 234.299 6 ↓
Mid Mid (pH 6-8) 1.02 2.22 -43.12 4 4 1 66 235.307 6 ↓

Analogs

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Popular Name: 2-[[(1S)-3-amino-1-phenyl-propyl]-methyl-amino]-N-cyclopropyl-acetamide 2-[[(1S)-3-amino-1-phenyl-propyl…

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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) 0.97 3.27 -53.32 4 4 1 60 262.377 7 ↓

Analogs

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Popular Name: 2-[[(1R)-3-amino-1-phenyl-propyl]-methyl-amino]-N-cyclopropyl-acetamide 2-[[(1R)-3-amino-1-phenyl-propyl…

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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) 0.97 2.84 -58.86 4 4 1 60 262.377 7 ↓

Analogs

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Popular Name: 2-[[(1R)-2-cyano-1-phenyl-ethyl]amino]-N-cyclopropyl-acetamide 2-[[(1R)-2-cyano-1-phenyl-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) 0.21 4.45 -10.16 2 4 0 65 243.31 6 ↓
Lo Low (pH 4.5-6) 0.21 5.68 -48.2 3 4 1 69 244.318 6 ↓

Analogs

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Popular Name: 2-[[(1S)-2-cyano-1-phenyl-ethyl]amino]-N-cyclopropyl-acetamide 2-[[(1S)-2-cyano-1-phenyl-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) 0.21 4.43 -9.32 2 4 0 65 243.31 6 ↓
Lo Low (pH 4.5-6) 0.21 5.68 -48.04 3 4 1 69 244.318 6 ↓

Analogs

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Popular Name: 2-[[(1S)-2-cyano-1-phenyl-ethyl]-methyl-amino]-N-cyclopropyl-acetamide 2-[[(1S)-2-cyano-1-phenyl-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) 1.36 4.97 -12.29 1 4 0 56 257.337 6 ↓
Mid Mid (pH 6-8) 1.36 7.24 -39.57 2 4 1 57 258.345 6 ↓

Analogs

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Popular Name: 2-[[(1R)-2-cyano-1-phenyl-ethyl]-methyl-amino]-N-cyclopropyl-acetamide 2-[[(1R)-2-cyano-1-phenyl-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) 1.36 5.12 -12.15 1 4 0 56 257.337 6 ↓
Mid Mid (pH 6-8) 1.36 7.21 -39.39 2 4 1 57 258.345 6 ↓

Analogs

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Popular Name: 2-[[(1S)-3-amino-1-phenyl-3-thioxo-propyl]-methyl-amino]-N-cyclopropyl-acetamide 2-[[(1S)-3-amino-1-phenyl-3-thio…

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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 3.76 -12.17 3 4 0 58 291.42 7 ↓
Mid Mid (pH 6-8) 1.08 5.8 -44.73 4 4 1 60 292.428 7 ↓

Analogs

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Popular Name: 2-[[(1R)-3-amino-1-phenyl-3-thioxo-propyl]-methyl-amino]-N-cyclopropyl-acetamide 2-[[(1R)-3-amino-1-phenyl-3-thio…

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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 4.43 -15.5 3 4 0 58 291.42 7 ↓
Mid Mid (pH 6-8) 1.08 5.8 -40.58 4 4 1 60 292.428 7 ↓

Analogs

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Popular Name: N-cyclopropyl-N-methyl-2-[methyl-[(1S)-2,2,2-trifluoro-1-phenyl-ethyl]amino]acetamide N-cyclopropyl-N-methyl-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) 2.57 7.1 -9.51 0 3 0 24 300.324 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-methyl-2-[methyl-[(1R)-2,2,2-trifluoro-1-phenyl-ethyl]amino]acetamide N-cyclopropyl-N-methyl-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) 2.57 7.12 -9.41 0 3 0 24 300.324 6 ↓

Analogs

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Popular Name: N-cyclopropyl-2-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]acetamide N-cyclopropyl-2-[(4-fluorophenyl…

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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) 2.04 5.69 -9.91 1 3 0 32 260.312 6 ↓
Mid Mid (pH 6-8) 2.04 7.77 -43.86 2 3 1 34 261.32 6 ↓

Analogs

7792009
7792009

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Popular Name: N-cyclopropyl-2-[(2-ethoxyphenyl)methyl-methyl-amino]-N-methyl-acetamide N-cyclopropyl-2-[(2-ethoxyphenyl…

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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 8.46 -37.02 1 4 1 34 277.388 7 ↓
Hi High (pH 8-9.5) 1.84 6.19 -10.46 0 4 0 33 276.38 7 ↓

Analogs

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Popular Name: 2-[benzyl(isopropyl)amino]-N-cyclopropyl-N-methyl-acetamide 2-[benzyl(isopropyl)amino]-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) 2.13 8.83 -37.16 1 3 1 25 261.389 6 ↓
Hi High (pH 8-9.5) 2.13 7.13 -9.06 0 3 0 24 260.381 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[[(1S)-2,2,2-trifluoro-1-phenyl-ethyl]amino]acetamide N-cyclopropyl-2-[[(1S)-2,2,2-tri…

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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) 2.58 4.47 -9.04 2 3 0 41 272.27 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[[(1R)-2,2,2-trifluoro-1-phenyl-ethyl]amino]acetamide N-cyclopropyl-2-[[(1R)-2,2,2-tri…

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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) 2.58 4.45 -9.02 2 3 0 41 272.27 6 ↓

Analogs

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Popular Name: 2-[[3-(aminomethyl)phenyl]methyl-methyl-amino]-N-cyclopropyl-N-ethyl-acetamide 2-[[3-(aminomethyl)phenyl]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) 0.99 6.93 -101.52 4 4 2 52 277.412 7 ↓
Hi High (pH 8-9.5) 0.99 6.63 -42.13 3 4 1 51 276.404 7 ↓
Hi High (pH 8-9.5) 0.99 4.79 -45.94 3 4 1 51 276.404 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(aminomethyl)phenyl]methyl-ethyl-amino]-N-cyclopropyl-N-ethyl-acetamide 2-[[2-(aminomethyl)phenyl]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) 1.35 7.72 -111.63 4 4 2 52 291.439 8 ↓
Hi High (pH 8-9.5) 1.35 7.4 -33.32 3 4 1 51 290.431 8 ↓
Hi High (pH 8-9.5) 1.35 7.25 -37.26 3 4 1 51 290.431 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(aminomethyl)phenyl]methyl-methyl-amino]-N-cyclopropyl-N-ethyl-acetamide 2-[[2-(aminomethyl)phenyl]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) 0.97 6.98 -121.43 4 4 2 52 277.412 7 ↓
Hi High (pH 8-9.5) 0.97 5.18 -48.98 3 4 1 51 276.404 7 ↓
Hi High (pH 8-9.5) 0.97 6.68 -40.83 3 4 1 51 276.404 7 ↓

Analogs

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Popular Name: 2-[[4-(aminomethyl)phenyl]methyl-methyl-amino]-N-cyclopropyl-N-ethyl-acetamide 2-[[4-(aminomethyl)phenyl]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) 1.02 7.02 -94.54 4 4 2 52 277.412 7 ↓
Hi High (pH 8-9.5) 1.02 6.61 -41.32 3 4 1 51 276.404 7 ↓
Hi High (pH 8-9.5) 1.02 4.68 -47.65 3 4 1 51 276.404 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-aminophenyl)methyl-methyl-amino]-N-cyclopropyl-N-ethyl-acetamide 2-[(3-aminophenyl)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) 0.89 6.76 -40.12 3 4 1 51 262.377 6 ↓

Parameters Provided:

ring.id = 15610
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 15610 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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