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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: (2R)-4-anilino-2-(3-morpholinopropylamino)-4-oxo-butanoic (2R)-4-anilino-2-(3-morpholinopr…

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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) 0.32 3.41 -34.63 3 7 0 98 335.404 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-anilino-2-(3-morpholinopropylamino)-4-oxo-butanoic (2S)-4-anilino-2-(3-morpholinopr…

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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) 0.32 3.39 -35.09 3 7 0 98 335.404 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-morpholinopropylamino)-4-oxo-4-(p-tolylamino)butanoic (2R)-2-(3-morpholinopropylamino)…

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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) 0.77 4.05 -34.92 3 7 0 98 349.431 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-morpholinopropylamino)-4-oxo-4-(p-tolylamino)butanoic (2S)-2-(3-morpholinopropylamino)…

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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) 0.77 4.05 -35.11 3 7 0 98 349.431 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-morpholinopropylamino)-4-(m-tolylamino)-4-oxo-butanoic (2R)-2-(3-morpholinopropylamino)…

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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) 0.74 4.06 -34.77 3 7 0 98 349.431 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-morpholinopropylamino)-4-(m-tolylamino)-4-oxo-butanoic (2S)-2-(3-morpholinopropylamino)…

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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) 0.74 4.06 -35.13 3 7 0 98 349.431 9 ↓

Analogs

6604343
6604343
6604365
6604365

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(4-ethylphenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2R)-4-[(4-ethylphenyl)amino]-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) 1.23 4.82 -34.76 3 7 0 98 363.458 10 ↓

Analogs

6604336
6604336
6604343
6604343
6604365
6604365

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(4-ethylphenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2S)-4-[(4-ethylphenyl)amino]-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) 1.23 4.84 -34.62 3 7 0 98 363.458 10 ↓

Analogs

6357877
6357877
6357883
6357883
6357950
6357950

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(4-isopropylphenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2R)-4-[(4-isopropylphenyl)amino…

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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) 1.83 5.35 -34.29 3 7 0 98 377.485 10 ↓

Analogs

6358990
6358990
6358998
6358998
6593317
6593317

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(4-isopropylphenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2S)-4-[(4-isopropylphenyl)amino…

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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) 1.83 5.35 -34.47 3 7 0 98 377.485 10 ↓

Analogs

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Popular Name: (2R)-4-[(2-chlorophenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2R)-4-[(2-chlorophenyl)amino]-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) 0.95 4.04 -32.97 3 7 0 98 369.849 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(2-chlorophenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2S)-4-[(2-chlorophenyl)amino]-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) 0.95 4.04 -34.84 3 7 0 98 369.849 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(4-methoxyphenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2R)-4-[(4-methoxyphenyl)amino]-…

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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) 0.37 2.7 -36.89 3 8 0 108 365.43 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(4-methoxyphenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2S)-4-[(4-methoxyphenyl)amino]-…

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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) 0.37 2.7 -36.66 3 8 0 108 365.43 10 ↓

Analogs

39703767
39703767
39703768
39703768

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(4-ethoxyphenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2R)-4-[(4-ethoxyphenyl)amino]-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) 0.75 3.63 -36.77 3 8 0 108 379.457 11 ↓

Analogs

39703767
39703767
39703768
39703768

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(4-ethoxyphenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2S)-4-[(4-ethoxyphenyl)amino]-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) 0.75 3.63 -36.39 3 8 0 108 379.457 11 ↓

Analogs

6594108
6594108
6594122
6594122
6627136
6627136

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(4-hydroxyphenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2R)-4-[(4-hydroxyphenyl)amino]-…

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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) -0.16 0.52 -39.38 4 8 0 119 351.403 9 ↓

Analogs

6594108
6594108
6594122
6594122

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(4-hydroxyphenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2S)-4-[(4-hydroxyphenyl)amino]-…

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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) -0.16 0.52 -39.46 4 8 0 119 351.403 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(4-fluorophenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2R)-4-[(4-fluorophenyl)amino]-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) 0.48 3.47 -36.46 3 7 0 98 353.394 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(4-fluorophenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2S)-4-[(4-fluorophenyl)amino]-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) 0.48 3.47 -36.57 3 7 0 98 353.394 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(4-acetamidophenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2R)-4-[(4-acetamidophenyl)amino…

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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) -0.46 2.29 -43.69 4 9 0 127 392.456 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(4-acetamidophenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2S)-4-[(4-acetamidophenyl)amino…

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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) -0.46 2.29 -43.89 4 9 0 127 392.456 10 ↓

Analogs

6592151
6592151
6592156
6592156

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-morpholinopropylamino)-4-oxo-4-[[3-(trifluoromethyl)phenyl]amino]butanoic (2R)-2-(3-morpholinopropylamino)…

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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) 1.19 4.4 -35.89 3 7 0 98 403.401 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-morpholinopropylamino)-4-oxo-4-[[3-(trifluoromethyl)phenyl]amino]butanoic (2S)-2-(3-morpholinopropylamino)…

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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) 1.19 4.41 -36.65 3 7 0 98 403.401 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(2,4-dimethylphenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2R)-4-[(2,4-dimethylphenyl)amin…

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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 4.88 -34.99 3 7 0 98 363.458 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(2,4-dimethylphenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2S)-4-[(2,4-dimethylphenyl)amin…

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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 4.87 -35.01 3 7 0 98 363.458 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(3,4-dimethylphenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2R)-4-[(3,4-dimethylphenyl)amin…

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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 4.72 -34.9 3 7 0 98 363.458 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(3,4-dimethylphenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2S)-4-[(3,4-dimethylphenyl)amin…

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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 4.72 -34.99 3 7 0 98 363.458 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(3,5-dimethylphenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2R)-4-[(3,5-dimethylphenyl)amin…

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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 4.72 -34.81 3 7 0 98 363.458 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(3,5-dimethylphenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2S)-4-[(3,5-dimethylphenyl)amin…

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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 4.73 -34.67 3 7 0 98 363.458 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(5-chloro-2-methyl-phenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2R)-4-[(5-chloro-2-methyl-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) 1.37 4.72 -35.26 3 7 0 98 383.876 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(5-chloro-2-methyl-phenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2S)-4-[(5-chloro-2-methyl-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) 1.37 4.72 -36.32 3 7 0 98 383.876 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(2,6-dichlorophenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2R)-4-[(2,6-dichlorophenyl)amin…

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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) 1.58 4.8 -33.99 3 7 0 98 404.294 9 ↓

Analogs

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Popular Name: (2S)-4-[(2,6-dichlorophenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2S)-4-[(2,6-dichlorophenyl)amin…

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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) 1.58 4.8 -33.83 3 7 0 98 404.294 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(2,4-dimethoxyphenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2R)-4-[(2,4-dimethoxyphenyl)ami…

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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 2.15 -35 3 9 0 117 395.456 11 ↓

Analogs

39880822
39880822
39880823
39880823

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(2,4-dimethoxyphenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2S)-4-[(2,4-dimethoxyphenyl)ami…

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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 2.15 -36.7 3 9 0 117 395.456 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(2,5-dimethoxyphenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2R)-4-[(2,5-dimethoxyphenyl)ami…

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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 2.15 -35.8 3 9 0 117 395.456 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(2,5-dimethoxyphenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2S)-4-[(2,5-dimethoxyphenyl)ami…

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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 2.16 -36.01 3 9 0 117 395.456 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-morpholinopropylamino)-4-oxo-4-[(2,4,6-trimethylphenyl)amino]butanoic (2R)-2-(3-morpholinopropylamino)…

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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) 0.58 5.55 -34.63 3 7 0 98 377.485 9 ↓

Analogs

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Popular Name: (2S)-2-(3-morpholinopropylamino)-4-oxo-4-[(2,4,6-trimethylphenyl)amino]butanoic (2S)-2-(3-morpholinopropylamino)…

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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) 0.58 5.55 -34.93 3 7 0 98 377.485 9 ↓

Analogs

39880328
39880328
39880329
39880329

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Popular Name: (2R)-4-[(2-bromophenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2R)-4-[(2-bromophenyl)amino]-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) 1.08 4.17 -32.74 3 7 0 98 414.3 9 ↓

Analogs

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Popular Name: (2S)-4-[(2-bromophenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2S)-4-[(2-bromophenyl)amino]-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) 1.08 4.17 -33.19 3 7 0 98 414.3 9 ↓

Analogs

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Popular Name: (2R)-4-[(2-cyanophenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2R)-4-[(2-cyanophenyl)amino]-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) 0.03 3.86 -35.81 3 8 0 122 360.414 9 ↓

Analogs

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Popular Name: (2S)-4-[(2-cyanophenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2S)-4-[(2-cyanophenyl)amino]-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) 0.03 3.86 -38.63 3 8 0 122 360.414 9 ↓

Analogs

39918388
39918388
39918389
39918389
39918402
39918402
39918403
39918403

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Popular Name: (2R)-4-[(3-fluorophenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2R)-4-[(3-fluorophenyl)amino]-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) 0.46 3.46 -35.55 3 7 0 98 353.394 9 ↓

Analogs

39918388
39918388
39918389
39918389
39918400
39918400
39918401
39918401
39918402
39918402

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Popular Name: (2S)-4-[(3-fluorophenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2S)-4-[(3-fluorophenyl)amino]-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) 0.46 3.46 -36.9 3 7 0 98 353.394 9 ↓

Analogs

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Popular Name: (2R)-4-[(2,4-difluorophenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2R)-4-[(2,4-difluorophenyl)amin…

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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 3.58 -34.58 3 7 0 98 371.384 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(2,4-difluorophenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2S)-4-[(2,4-difluorophenyl)amin…

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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 3.59 -34.73 3 7 0 98 371.384 9 ↓

Analogs

39918422
39918422
39918423
39918423
39918424
39918424
39918425
39918425

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Popular Name: (2R)-4-[(4-ethoxy-2-nitro-phenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2R)-4-[(4-ethoxy-2-nitro-phenyl…

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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 4.65 -40.46 3 11 0 153 424.454 12 ↓

Analogs

39918424
39918424
39918425
39918425

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(4-ethoxy-2-nitro-phenyl)amino]-2-(3-morpholinopropylamino)-4-oxo-butanoic (2S)-4-[(4-ethoxy-2-nitro-phenyl…

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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 4.62 -40.78 3 11 0 153 424.454 12 ↓

Parameters Provided:

ring.id = 128820
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 = 128820 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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