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Analogs

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Popular Name: (2R)-4-[[3-ethoxycarbonyl-5-methyl-4-[(2S)-2-methylbutyl]-2-thienyl]amino]-4-oxo-2-phenyl-butanoic (2R)-4-[[3-ethoxycarbonyl-5-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) 4.57 12.58 -58.63 1 6 -1 96 430.546 11 ↓

Analogs

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Popular Name: (2S)-4-[[3-ethoxycarbonyl-5-methyl-4-[(2S)-2-methylbutyl]-2-thienyl]amino]-4-oxo-2-phenyl-butanoic (2S)-4-[[3-ethoxycarbonyl-5-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) 4.57 12.97 -56.73 1 6 -1 96 430.546 11 ↓

Analogs

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Popular Name: (2R)-4-[[3-ethoxycarbonyl-5-methyl-4-[(2R)-2-methylbutyl]-2-thienyl]amino]-4-oxo-2-phenyl-butanoic (2R)-4-[[3-ethoxycarbonyl-5-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) 4.57 12.73 -58.75 1 6 -1 96 430.546 11 ↓

Analogs

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Popular Name: (2S)-4-[[3-ethoxycarbonyl-5-methyl-4-[(2R)-2-methylbutyl]-2-thienyl]amino]-4-oxo-2-phenyl-butanoic (2S)-4-[[3-ethoxycarbonyl-5-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) 4.57 12.96 -56.49 1 6 -1 96 430.546 11 ↓

Analogs

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Popular Name: (2R)-4-[(3-ethoxycarbonyl-4-ethyl-5-methyl-2-thienyl)amino]-2-methyl-4-oxo-2-phenyl-butanoic (2R)-4-[(3-ethoxycarbonyl-4-ethy…

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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) 3.84 11.11 -61.62 1 6 -1 96 402.492 9 ↓

Analogs

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Popular Name: (2S)-4-[(3-ethoxycarbonyl-4-ethyl-5-methyl-2-thienyl)amino]-2-methyl-4-oxo-2-phenyl-butanoic (2S)-4-[(3-ethoxycarbonyl-4-ethy…

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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) 3.84 11.11 -60.27 1 6 -1 96 402.492 9 ↓

Analogs

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Popular Name: (2R)-4-[(3-ethoxycarbonyl-4-ethyl-5-methyl-2-thienyl)amino]-4-oxo-2-phenyl-butanoic (2R)-4-[(3-ethoxycarbonyl-4-ethy…

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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) 3.68 10.95 -60.43 1 6 -1 96 388.465 9 ↓

Analogs

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Popular Name: (2S)-4-[(3-ethoxycarbonyl-4-ethyl-5-methyl-2-thienyl)amino]-4-oxo-2-phenyl-butanoic (2S)-4-[(3-ethoxycarbonyl-4-ethy…

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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) 3.68 11.2 -56.57 1 6 -1 96 388.465 9 ↓

Analogs

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Popular Name: (2R)-4-[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thienyl]amino]-2-methyl-4-oxo-2-phenyl-butanoic (2R)-4-[[3,5-bis(ethoxycarbonyl)…

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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) 3.60 11.23 -58.43 1 8 -1 122 446.501 11 ↓

Analogs

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Popular Name: (2S)-4-[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thienyl]amino]-2-methyl-4-oxo-2-phenyl-butanoic (2S)-4-[[3,5-bis(ethoxycarbonyl)…

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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) 3.60 11.23 -57.26 1 8 -1 122 446.501 11 ↓

Analogs

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Popular Name: (2R)-4-[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thienyl]amino]-4-oxo-2-phenyl-butanoic (2R)-4-[[3,5-bis(ethoxycarbonyl)…

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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) 3.44 11 -55.83 1 8 -1 122 432.474 11 ↓

Analogs

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Popular Name: (2S)-4-[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thienyl]amino]-4-oxo-2-phenyl-butanoic (2S)-4-[[3,5-bis(ethoxycarbonyl)…

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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) 3.44 11.31 -53.16 1 8 -1 122 432.474 11 ↓

Analogs

1285127
1285127

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Popular Name: (2R)-4-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)amino]-2-methyl-4-oxo-2-phenyl-butanoic (2R)-4-[(3-cyano-5-ethoxycarbony…

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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 9.92 -53.9 1 7 -1 119 399.448 8 ↓

Analogs

1283987
1283987
1285127
1285127

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Popular Name: (2S)-4-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)amino]-2-methyl-4-oxo-2-phenyl-butanoic (2S)-4-[(3-cyano-5-ethoxycarbony…

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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 9.92 -54 1 7 -1 119 399.448 8 ↓

Analogs

1285127
1285127

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)amino]-4-oxo-2-phenyl-butanoic (2R)-4-[(3-cyano-5-ethoxycarbony…

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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) 2.99 9.69 -52.44 1 7 -1 119 385.421 8 ↓

Analogs

1285127
1285127

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Popular Name: (2S)-4-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)amino]-4-oxo-2-phenyl-butanoic (2S)-4-[(3-cyano-5-ethoxycarbony…

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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) 2.99 9.69 -52.44 1 7 -1 119 385.421 8 ↓

Analogs

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Popular Name: (2R)-4-[(3-ethoxycarbonyl-5-ethyl-2-thienyl)amino]-2-methyl-4-oxo-2-phenyl-butanoic (2R)-4-[(3-ethoxycarbonyl-5-ethy…

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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) 3.57 10.7 -58.65 1 6 -1 96 388.465 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(3-ethoxycarbonyl-5-ethyl-2-thienyl)amino]-2-methyl-4-oxo-2-phenyl-butanoic (2S)-4-[(3-ethoxycarbonyl-5-ethy…

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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) 3.57 10.71 -58.45 1 6 -1 96 388.465 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(3-ethoxycarbonyl-5-ethyl-2-thienyl)amino]-4-oxo-2-phenyl-butanoic (2R)-4-[(3-ethoxycarbonyl-5-ethy…

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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) 3.41 10.48 -57.71 1 6 -1 96 374.438 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(3-ethoxycarbonyl-5-ethyl-2-thienyl)amino]-4-oxo-2-phenyl-butanoic (2S)-4-[(3-ethoxycarbonyl-5-ethy…

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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) 3.41 10.78 -54.91 1 6 -1 96 374.438 9 ↓

Analogs

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Popular Name: (2R)-4-[(3-ethoxycarbonyl-2-thienyl)amino]-2-methyl-4-oxo-2-phenyl-butanoic (2R)-4-[(3-ethoxycarbonyl-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) 2.77 9.11 -58.1 1 6 -1 96 360.411 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(3-ethoxycarbonyl-2-thienyl)amino]-2-methyl-4-oxo-2-phenyl-butanoic (2S)-4-[(3-ethoxycarbonyl-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) 2.77 9.11 -58.12 1 6 -1 96 360.411 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(3-ethoxycarbonyl-2-thienyl)amino]-4-oxo-2-phenyl-butanoic (2R)-4-[(3-ethoxycarbonyl-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) 2.62 8.88 -57.3 1 6 -1 96 346.384 8 ↓

Analogs

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Popular Name: (2S)-4-[(3-ethoxycarbonyl-2-thienyl)amino]-4-oxo-2-phenyl-butanoic (2S)-4-[(3-ethoxycarbonyl-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) 2.62 9.2 -54.4 1 6 -1 96 346.384 8 ↓

Analogs

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Popular Name: (2S)-4-[(3-cyano-2-thienyl)amino]-2-methyl-4-oxo-2-phenyl-butanoic (2S)-4-[(3-cyano-2-thienyl)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) 2.32 7.78 -55.88 1 5 -1 93 313.358 5 ↓

Analogs

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Popular Name: (2R)-4-[(3-cyano-2-thienyl)amino]-2-methyl-4-oxo-2-phenyl-butanoic (2R)-4-[(3-cyano-2-thienyl)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) 2.32 7.78 -55.85 1 5 -1 93 313.358 5 ↓

Analogs

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Popular Name: (2S)-4-[(3-cyano-2-thienyl)amino]-4-oxo-2-phenyl-butanoic (2S)-4-[(3-cyano-2-thienyl)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) 2.17 7.87 -51.69 1 5 -1 93 299.331 5 ↓

Analogs

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Popular Name: (2R)-4-[(3-cyano-2-thienyl)amino]-4-oxo-2-phenyl-butanoic (2R)-4-[(3-cyano-2-thienyl)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) 2.17 7.55 -54.76 1 5 -1 93 299.331 5 ↓

Analogs

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Popular Name: (2S)-4-[(3-carbamoyl-2-thienyl)amino]-2-methyl-4-oxo-2-phenyl-butanoic (2S)-4-[(3-carbamoyl-2-thienyl)a…

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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) 1.38 4.38 -62.46 3 6 -1 112 331.373 6 ↓

Analogs

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Popular Name: (2R)-4-[(3-carbamoyl-2-thienyl)amino]-2-methyl-4-oxo-2-phenyl-butanoic (2R)-4-[(3-carbamoyl-2-thienyl)a…

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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) 1.38 4.38 -62.43 3 6 -1 112 331.373 6 ↓

Analogs

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Popular Name: (2R)-4-[(3-carbamoyl-2-thienyl)amino]-4-oxo-2-phenyl-butanoic (2R)-4-[(3-carbamoyl-2-thienyl)a…

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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 4.15 -61.71 3 6 -1 112 317.346 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(3-carbamoyl-2-thienyl)amino]-4-oxo-2-phenyl-butanoic (2S)-4-[(3-carbamoyl-2-thienyl)a…

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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 4.47 -58.84 3 6 -1 112 317.346 6 ↓

Analogs

47835712
47835712
5512723
5512723
9646661
9646661
3230431
3230431

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Popular Name: 5-[3-(2-chlorophenyl)propanoylamino]-3-methyl-thiophene-2-carboxylic 5-[3-(2-chlorophenyl)propanoylam…

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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) 4.04 8.75 -57.19 1 4 -1 69 322.793 5 ↓

Analogs

5512723
5512723

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Popular Name: 5-[3-(4-fluorophenyl)propanoylamino]-3-methyl-thiophene-2-carboxylic 5-[3-(4-fluorophenyl)propanoylam…

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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) 3.57 8.41 -57.14 1 4 -1 69 306.338 5 ↓

Analogs

38828247
38828247
38828311
38828311
38828480
38828480
38828522
38828522
4275684
4275684

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Popular Name: 2-[3-(2-chlorophenyl)propanoylamino]thiophene-3-carboxylic 2-[3-(2-chlorophenyl)propanoylam…

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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) 3.35 8.18 -49.8 1 4 -1 69 308.766 5 ↓

Analogs

4275684
4275684

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Popular Name: 2-[3-(4-ethylphenyl)propanoylamino]thiophene-3-carboxylic 2-[3-(4-ethylphenyl)propanoylami…

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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) 3.64 9.21 -48.77 1 4 -1 69 302.375 6 ↓

Analogs

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Popular Name: 2-[3-(2,5-dimethoxyphenyl)propanoylamino]thiophene-3-carboxamide 2-[3-(2,5-dimethoxyphenyl)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) 2.01 2.71 -14.03 3 6 0 91 334.397 7 ↓

Analogs

1283957
1283957
1285097
1285097
40994567
40994567

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Popular Name: 5-acetyl-2-(hydrocinnamoylamino)-4-methyl-thiophene-3-carboxylic-acid-ethyl-ester 5-acetyl-2-(hydrocinnamoylamino)…

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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) 3.87 1.34 -11.3 1 5 0 72 359.447 8 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.82 8.19 -19.31 2 6 0 85 374.462 8 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.82 8.24 -19.54 2 6 0 85 374.462 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.73 8.89 -17.19 2 6 0 85 388.489 8 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.73 8.94 -16.77 2 6 0 85 388.489 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.20 9.62 -16.56 2 6 0 85 402.516 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.20 9.66 -17.43 2 6 0 85 402.516 9 ↓

Parameters Provided:

ring.id = 18958
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 = 18958 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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