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26055614
26055614

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Popular Name: 2-(4-chlorophenyl)-N-[[5-(methylsulfamoyl)-2-thienyl]methyl]acetamide 2-(4-chlorophenyl)-N-[[5-(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) 2.56 3.16 -14.83 2 5 0 75 358.872 6 ↓

Analogs

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Popular Name: 2-(2-aminophenyl)-N-[(5-chloro-2-thienyl)methyl]-N-ethyl-acetamide 2-(2-aminophenyl)-N-[(5-chloro-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) 3.38 8.06 -7.98 2 3 0 46 308.834 5 ↓

Analogs

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Popular Name: 2-(2-aminophenyl)-N-[(5-chloro-2-thienyl)methyl]-N-methyl-acetamide 2-(2-aminophenyl)-N-[(5-chloro-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) 3.00 7.15 -8.58 2 3 0 46 294.807 4 ↓

Analogs

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Popular Name: N-allyl-2-(2-aminophenyl)-N-[(5-chloro-2-thienyl)methyl]acetamide N-allyl-2-(2-aminophenyl)-N-[(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) 3.65 8.66 -7.73 2 3 0 46 320.845 6 ↓

Analogs

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Popular Name: 2-(2-aminophenyl)-N-[(5-bromo-2-thienyl)methyl]-N-ethyl-acetamide 2-(2-aminophenyl)-N-[(5-bromo-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) 3.51 8.16 -7.97 2 3 0 46 353.285 5 ↓

Analogs

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Popular Name: 2-(2-aminophenyl)-N-[(5-bromo-2-thienyl)methyl]acetamide 2-(2-aminophenyl)-N-[(5-bromo-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) 2.89 5.11 -8.38 3 3 0 55 325.231 4 ↓

Analogs

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Popular Name: (2R)-2-amino-2-phenyl-N-(2-thienylmethyl)propanamide (2R)-2-amino-2-phenyl-N-(2-thien…

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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 4.18 -7.41 3 3 0 55 260.362 4 ↓
Mid Mid (pH 6-8) 2.15 4.43 -49.59 4 3 1 57 261.37 4 ↓

Analogs

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Popular Name: (2S)-2-amino-2-phenyl-N-(2-thienylmethyl)propanamide (2S)-2-amino-2-phenyl-N-(2-thien…

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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 4.12 -6.7 3 3 0 55 260.362 4 ↓
Mid Mid (pH 6-8) 2.15 4.43 -49.06 4 3 1 57 261.37 4 ↓

Analogs

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

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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) 2.40 6 -7.21 2 3 0 46 274.389 4 ↓
Mid Mid (pH 6-8) 2.40 6.21 -44.09 3 3 1 48 275.397 4 ↓

Analogs

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

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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) 2.40 6.03 -9.69 2 3 0 46 274.389 4 ↓
Mid Mid (pH 6-8) 2.40 6.38 -51.55 3 3 1 48 275.397 4 ↓

Analogs

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

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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) 2.71 4.94 -6.34 3 3 0 55 274.389 4 ↓
Mid Mid (pH 6-8) 2.71 5.25 -48.38 4 3 1 57 275.397 4 ↓

Analogs

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

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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) 2.71 4.94 -6.47 3 3 0 55 274.389 4 ↓
Mid Mid (pH 6-8) 2.71 5.25 -49.22 4 3 1 57 275.397 4 ↓

Analogs

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

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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) 2.71 5.01 -6.97 3 3 0 55 274.389 4 ↓
Mid Mid (pH 6-8) 2.71 5.25 -49.2 4 3 1 57 275.397 4 ↓

Analogs

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

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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) 2.71 5.01 -6.92 3 3 0 55 274.389 4 ↓
Mid Mid (pH 6-8) 2.71 5.25 -48.32 4 3 1 57 275.397 4 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1S)-1-(5-chloro…

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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) 3.52 5.63 -6.2 3 3 0 55 308.834 4 ↓
Mid Mid (pH 6-8) 3.52 5.87 -49.26 4 3 1 57 309.842 4 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[(1R)-1-(5-chloro-2-thienyl)ethyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1R)-1-(5-chloro…

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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) 3.52 5.63 -6.27 3 3 0 55 308.834 4 ↓
Mid Mid (pH 6-8) 3.52 5.87 -50.05 4 3 1 57 309.842 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-2-phenyl-propanamide (2S)-2-amino-N-[(1S)-1-(5-chloro…

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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) 3.52 5.57 -5.71 3 3 0 55 308.834 4 ↓
Mid Mid (pH 6-8) 3.52 5.87 -50.05 4 3 1 57 309.842 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[(1R)-1-(5-chloro-2-thienyl)ethyl]-2-phenyl-propanamide (2S)-2-amino-N-[(1R)-1-(5-chloro…

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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) 3.52 5.57 -5.62 3 3 0 55 308.834 4 ↓
Mid Mid (pH 6-8) 3.52 5.87 -49.23 4 3 1 57 309.842 4 ↓

Analogs

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

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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) 3.46 6.05 -5.57 3 3 0 55 302.443 5 ↓
Mid Mid (pH 6-8) 3.46 6.35 -48.05 4 3 1 57 303.451 5 ↓

Analogs

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

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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) 3.46 6.05 -5.63 3 3 0 55 302.443 5 ↓
Mid Mid (pH 6-8) 3.46 6.35 -49.07 4 3 1 57 303.451 5 ↓

Analogs

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

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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) 3.46 6.11 -6.07 3 3 0 55 302.443 5 ↓
Mid Mid (pH 6-8) 3.46 6.35 -49.02 4 3 1 57 303.451 5 ↓

Analogs

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

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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) 3.46 6.11 -6.15 3 3 0 55 302.443 5 ↓
Mid Mid (pH 6-8) 3.46 6.35 -48 4 3 1 57 303.451 5 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[(5-chloro-2-thienyl)methyl]-N-ethyl-2-phenyl-propanamide (2R)-2-amino-N-[(5-chloro-2-thie…

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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) 3.58 7.87 -6.28 2 3 0 46 322.861 5 ↓
Mid Mid (pH 6-8) 3.58 8.1 -47.53 3 3 1 48 323.869 5 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[(5-chloro-2-thienyl)methyl]-N-ethyl-2-phenyl-propanamide (2S)-2-amino-N-[(5-chloro-2-thie…

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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) 3.58 8.4 -6.56 2 3 0 46 322.861 5 ↓
Mid Mid (pH 6-8) 3.58 7.97 -48.18 3 3 1 48 323.869 5 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[(5-chloro-2-thienyl)methyl]-N-methyl-2-phenyl-propanamide (2R)-2-amino-N-[(5-chloro-2-thie…

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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) 3.20 6.62 -6.96 2 3 0 46 308.834 4 ↓
Mid Mid (pH 6-8) 3.20 6.83 -45.35 3 3 1 48 309.842 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[(5-chloro-2-thienyl)methyl]-N-methyl-2-phenyl-propanamide (2S)-2-amino-N-[(5-chloro-2-thie…

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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) 3.20 6.66 -9.54 2 3 0 46 308.834 4 ↓
Mid Mid (pH 6-8) 3.20 7.01 -53.44 3 3 1 48 309.842 4 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[(5-bromo-2-thienyl)methyl]-N-ethyl-2-phenyl-propanamide (2R)-2-amino-N-[(5-bromo-2-thien…

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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) 3.71 7.98 -6.21 2 3 0 46 367.312 5 ↓
Mid Mid (pH 6-8) 3.71 8.21 -47.56 3 3 1 48 368.32 5 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[(5-bromo-2-thienyl)methyl]-N-ethyl-2-phenyl-propanamide (2S)-2-amino-N-[(5-bromo-2-thien…

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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) 3.71 8.5 -6.6 2 3 0 46 367.312 5 ↓
Mid Mid (pH 6-8) 3.71 8.08 -48.15 3 3 1 48 368.32 5 ↓

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Popular Name: (2R)-2-amino-N-methyl-N-[(3-methyl-2-thienyl)methyl]-2-phenyl-propanamide (2R)-2-amino-N-methyl-N-[(3-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) 2.78 6.66 -6.51 2 3 0 46 288.416 4 ↓
Mid Mid (pH 6-8) 2.78 6.87 -49.31 3 3 1 48 289.424 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-methyl-N-[(3-methyl-2-thienyl)methyl]-2-phenyl-propanamide (2S)-2-amino-N-methyl-N-[(3-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) 2.78 6.92 -9.47 2 3 0 46 288.416 4 ↓
Mid Mid (pH 6-8) 2.78 6.72 -42.77 3 3 1 48 289.424 4 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[(4-bromo-2-thienyl)methyl]-N-methyl-2-phenyl-propanamide (2R)-2-amino-N-[(4-bromo-2-thien…

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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) 3.14 7.08 -7.62 2 3 0 46 353.285 4 ↓
Mid Mid (pH 6-8) 3.14 6.82 -44.09 3 3 1 48 354.293 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[(4-bromo-2-thienyl)methyl]-N-methyl-2-phenyl-propanamide (2S)-2-amino-N-[(4-bromo-2-thien…

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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) 3.14 6.78 -7.64 2 3 0 46 353.285 4 ↓
Mid Mid (pH 6-8) 3.14 6.99 -51.41 3 3 1 48 354.293 4 ↓

Analogs

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

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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) 2.96 6.32 -8.16 2 3 0 46 288.416 4 ↓
Mid Mid (pH 6-8) 2.96 6.58 -48.29 3 3 1 48 289.424 4 ↓

Analogs

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

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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) 2.96 6.31 -7.8 2 3 0 46 288.416 4 ↓
Mid Mid (pH 6-8) 2.96 6.58 -44.83 3 3 1 48 289.424 4 ↓

Analogs

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

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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) 2.96 6.23 -5.85 2 3 0 46 288.416 4 ↓
Mid Mid (pH 6-8) 2.96 6.43 -43.5 3 3 1 48 289.424 4 ↓

Analogs

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

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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) 2.96 6.27 -6.36 2 3 0 46 288.416 4 ↓
Mid Mid (pH 6-8) 2.96 6.46 -46.86 3 3 1 48 289.424 4 ↓

Analogs

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Popular Name: (2R)-2-amino-N-methyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]-2-phenyl-propanamide (2R)-2-amino-N-methyl-N-[(1R)-1-…

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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) 3.18 7.14 -8.02 2 3 0 46 302.443 4 ↓
Mid Mid (pH 6-8) 3.18 7.41 -44.71 3 3 1 48 303.451 4 ↓

Analogs

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Popular Name: (2R)-2-amino-N-methyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]-2-phenyl-propanamide (2R)-2-amino-N-methyl-N-[(1S)-1-…

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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) 3.18 7.15 -8.43 2 3 0 46 302.443 4 ↓
Mid Mid (pH 6-8) 3.18 7.41 -48.44 3 3 1 48 303.451 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-methyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]-2-phenyl-propanamide (2S)-2-amino-N-methyl-N-[(1R)-1-…

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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) 3.18 7.1 -6.63 2 3 0 46 302.443 4 ↓
Mid Mid (pH 6-8) 3.18 7.29 -46.94 3 3 1 48 303.451 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-methyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]-2-phenyl-propanamide (2S)-2-amino-N-methyl-N-[(1S)-1-…

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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) 3.18 7.08 -6.06 2 3 0 46 302.443 4 ↓
Mid Mid (pH 6-8) 3.18 7.27 -43.4 3 3 1 48 303.451 4 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[(5-bromo-2-thienyl)methyl]-2-phenyl-propanamide (2R)-2-amino-N-[(5-bromo-2-thien…

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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) 3.09 4.85 -6.16 3 3 0 55 339.258 4 ↓
Mid Mid (pH 6-8) 3.09 5.16 -51.45 4 3 1 57 340.266 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[(5-bromo-2-thienyl)methyl]-2-phenyl-propanamide (2S)-2-amino-N-[(5-bromo-2-thien…

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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) 3.09 4.92 -6.96 3 3 0 55 339.258 4 ↓
Mid Mid (pH 6-8) 3.09 5.16 -50.59 4 3 1 57 340.266 4 ↓

Analogs

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Popular Name: (2R)-2-amino-N-isopropyl-2-phenyl-N-(2-thienylmethyl)propanamide (2R)-2-amino-N-isopropyl-2-pheny…

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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) 3.07 7.56 -5.48 2 3 0 46 302.443 5 ↓
Mid Mid (pH 6-8) 3.07 7.81 -39 3 3 1 48 303.451 5 ↓

Analogs

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Popular Name: (2S)-2-amino-N-isopropyl-2-phenyl-N-(2-thienylmethyl)propanamide (2S)-2-amino-N-isopropyl-2-pheny…

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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) 3.07 8.42 -7.57 2 3 0 46 302.443 5 ↓
Mid Mid (pH 6-8) 3.07 8.03 -44.69 3 3 1 48 303.451 5 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1R)-1-(5-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) 2.94 5.77 -6.6 3 3 0 55 288.416 4 ↓
Mid Mid (pH 6-8) 2.94 6.08 -49.05 4 3 1 57 289.424 4 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]-2-phenyl-propanamide (2R)-2-amino-N-[(1S)-1-(5-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) 2.94 5.77 -6.47 3 3 0 55 288.416 4 ↓
Mid Mid (pH 6-8) 2.94 6.08 -48.2 4 3 1 57 289.424 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]-2-phenyl-propanamide (2S)-2-amino-N-[(1R)-1-(5-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) 2.94 5.84 -6.9 3 3 0 55 288.416 4 ↓
Mid Mid (pH 6-8) 2.94 6.08 -48.1 4 3 1 57 289.424 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]-2-phenyl-propanamide (2S)-2-amino-N-[(1S)-1-(5-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) 2.94 5.84 -6.96 3 3 0 55 288.416 4 ↓
Mid Mid (pH 6-8) 2.94 6.08 -49.07 4 3 1 57 289.424 4 ↓

Analogs

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

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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) 3.22 5.62 -6.24 3 3 0 55 288.416 5 ↓
Mid Mid (pH 6-8) 3.22 5.87 -48.11 4 3 1 57 289.424 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.22 5.62 -6.28 3 3 0 55 288.416 5 ↓
Mid Mid (pH 6-8) 3.22 5.87 -48.96 4 3 1 57 289.424 5 ↓

Parameters Provided:

ring.id = 5358
filter.purchasability = annotated
page.format = targets
page.num = 1

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 = 5358 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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