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Analogs

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Popular Name: 3-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(3-methyl-2-thienyl)-5-oxo-2H-pyrrol-1-yl]benzoic 3-[(2R)-3-(cyclopropanecarbonyl)…

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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) 3.13 10.38 -125.91 0 6 -2 101 381.409 5 ↓
Mid Mid (pH 6-8) 3.13 7.93 -79.1 1 6 -1 98 382.417 4 ↓
Mid Mid (pH 6-8) 2.55 9.35 -71.73 0 6 -1 95 382.417 5 ↓

Analogs

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Popular Name: 3-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(3-methyl-2-thienyl)-5-oxo-2H-pyrrol-1-yl]benzoic 3-[(2S)-3-(cyclopropanecarbonyl)…

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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) 3.13 10.39 -126.27 0 6 -2 101 381.409 5 ↓
Mid Mid (pH 6-8) 2.55 9.41 -72.59 0 6 -1 95 382.417 5 ↓
Mid Mid (pH 6-8) 3.13 7.96 -79.32 1 6 -1 98 382.417 4 ↓

Analogs

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Popular Name: 3-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(5-methyl-2-thienyl)-5-oxo-2H-pyrrol-1-yl]benzoic 3-[(2R)-3-(cyclopropanecarbonyl)…

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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) 2.97 10.45 -130.95 0 6 -2 101 381.409 5 ↓
Mid Mid (pH 6-8) 2.39 9.47 -78.21 0 6 -1 95 382.417 5 ↓
Mid Mid (pH 6-8) 2.97 8.21 -85.8 1 6 -1 98 382.417 4 ↓

Analogs

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Popular Name: 3-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(5-methyl-2-thienyl)-5-oxo-2H-pyrrol-1-yl]benzoic 3-[(2S)-3-(cyclopropanecarbonyl)…

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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) 2.97 10.46 -131.01 0 6 -2 101 381.409 5 ↓
Mid Mid (pH 6-8) 2.39 9.49 -79.35 0 6 -1 95 382.417 5 ↓
Mid Mid (pH 6-8) 2.97 8.21 -85.94 1 6 -1 98 382.417 4 ↓

Analogs

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Popular Name: 3-[(2R)-2-(4-bromo-2-thienyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic 3-[(2R)-2-(4-bromo-2-thienyl)-3-…

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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) 3.49 10.23 -123.21 0 6 -2 101 446.278 5 ↓
Mid Mid (pH 6-8) 2.91 9.27 -73.13 0 6 -1 95 447.286 5 ↓
Mid Mid (pH 6-8) 3.49 8.03 -80.44 1 6 -1 98 447.286 4 ↓

Analogs

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Popular Name: 3-[(2S)-2-(4-bromo-2-thienyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic 3-[(2S)-2-(4-bromo-2-thienyl)-3-…

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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) 3.49 10.23 -123.15 0 6 -2 101 446.278 5 ↓
Mid Mid (pH 6-8) 2.91 9.29 -74.32 0 6 -1 95 447.286 5 ↓
Mid Mid (pH 6-8) 3.49 8.03 -80.52 1 6 -1 98 447.286 4 ↓

Analogs

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Popular Name: 3-[(5R)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-(2-thienyl)-5H-pyrrol-1-yl]benzoic 3-[(5R)-4-(cyclopropanecarbonyl)…

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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) 2.75 9.61 -130.34 0 6 -2 101 367.382 5 ↓
Mid Mid (pH 6-8) 2.17 8.64 -78.83 0 6 -1 95 368.39 5 ↓
Mid Mid (pH 6-8) 2.75 7.38 -85.71 1 6 -1 98 368.39 4 ↓

Analogs

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Popular Name: 3-[(5S)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-(2-thienyl)-5H-pyrrol-1-yl]benzoic 3-[(5S)-4-(cyclopropanecarbonyl)…

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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) 2.75 9.62 -130.42 0 6 -2 101 367.382 5 ↓
Mid Mid (pH 6-8) 2.17 8.67 -78.83 0 6 -1 95 368.39 5 ↓
Mid Mid (pH 6-8) 2.75 7.4 -85.81 1 6 -1 98 368.39 4 ↓

Analogs

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Popular Name: 4-chloro-3-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(3-methyl-2-thienyl)-5-oxo-2H-pyrrol-1-yl]benz 4-chloro-3-[(2R)-3-(cyclopropane…

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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) 3.76 11.05 -109.19 0 6 -2 101 415.854 5 ↓
Mid Mid (pH 6-8) 3.18 9.97 -53.99 0 6 -1 95 416.862 5 ↓
Mid Mid (pH 6-8) 3.76 8.68 -60.34 1 6 -1 98 416.862 4 ↓

Analogs

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Popular Name: 4-chloro-3-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(3-methyl-2-thienyl)-5-oxo-2H-pyrrol-1-yl]benz 4-chloro-3-[(2S)-3-(cyclopropane…

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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) 3.76 11.21 -114.28 0 6 -2 101 415.854 5 ↓
Mid Mid (pH 6-8) 3.18 10.08 -54.59 0 6 -1 95 416.862 5 ↓
Mid Mid (pH 6-8) 3.76 8.62 -61.21 1 6 -1 98 416.862 4 ↓

Analogs

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Popular Name: 4-chloro-3-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(5-methyl-2-thienyl)-5-oxo-2H-pyrrol-1-yl]benz 4-chloro-3-[(2R)-3-(cyclopropane…

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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 11.53 -115.07 0 6 -2 101 415.854 5 ↓
Mid Mid (pH 6-8) 3.02 10.41 -59.98 0 6 -1 95 416.862 5 ↓
Mid Mid (pH 6-8) 3.60 9.14 -67.23 1 6 -1 98 416.862 4 ↓

Analogs

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Popular Name: 4-chloro-3-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(5-methyl-2-thienyl)-5-oxo-2H-pyrrol-1-yl]benz 4-chloro-3-[(2S)-3-(cyclopropane…

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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 11.36 -114 0 6 -2 101 415.854 5 ↓
Mid Mid (pH 6-8) 3.02 10.39 -61.54 0 6 -1 95 416.862 5 ↓
Mid Mid (pH 6-8) 3.60 9.14 -67.55 1 6 -1 98 416.862 4 ↓

Analogs

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Popular Name: 3-[(2R)-2-(4-bromo-2-thienyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4-chloro-benz 3-[(2R)-2-(4-bromo-2-thienyl)-3-…

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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) 4.12 11.15 -106.68 0 6 -2 101 480.723 5 ↓
Mid Mid (pH 6-8) 3.54 10.35 -57.32 0 6 -1 95 481.731 5 ↓
Mid Mid (pH 6-8) 4.12 8.96 -63.21 1 6 -1 98 481.731 4 ↓

Analogs

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Popular Name: 3-[(2S)-2-(4-bromo-2-thienyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4-chloro-benz 3-[(2S)-2-(4-bromo-2-thienyl)-3-…

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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) 4.12 11.32 -107.76 0 6 -2 101 480.723 5 ↓
Mid Mid (pH 6-8) 3.54 10.15 -55.77 0 6 -1 95 481.731 5 ↓
Mid Mid (pH 6-8) 4.12 8.91 -62.56 1 6 -1 98 481.731 4 ↓

Analogs

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Popular Name: 4-chloro-3-[(5R)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-(2-thienyl)-5H-pyrrol-1-yl]benzoic 4-chloro-3-[(5R)-4-(cyclopropane…

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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 10.69 -113.81 0 6 -2 101 401.827 5 ↓
Mid Mid (pH 6-8) 2.80 9.58 -59.63 0 6 -1 95 402.835 5 ↓
Mid Mid (pH 6-8) 3.38 8.31 -66.76 1 6 -1 98 402.835 4 ↓

Analogs

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Popular Name: 4-chloro-3-[(5S)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-(2-thienyl)-5H-pyrrol-1-yl]benzoic 4-chloro-3-[(5S)-4-(cyclopropane…

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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 10.53 -112.75 0 6 -2 101 401.827 5 ↓
Mid Mid (pH 6-8) 2.80 9.59 -59.9 0 6 -1 95 402.835 5 ↓
Mid Mid (pH 6-8) 3.38 8.32 -66.96 1 6 -1 98 402.835 4 ↓

Analogs

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Popular Name: 3-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(3-methyl-2-thienyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-ben 3-[(2R)-3-(cyclopropanecarbonyl)…

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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) 3.53 11.64 -114.44 0 6 -2 101 395.436 5 ↓
Mid Mid (pH 6-8) 2.95 10.12 -57.91 0 6 -1 95 396.444 5 ↓
Mid Mid (pH 6-8) 3.53 8.76 -64.59 1 6 -1 98 396.444 4 ↓

Analogs

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Popular Name: 3-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(3-methyl-2-thienyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-ben 3-[(2S)-3-(cyclopropanecarbonyl)…

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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) 3.53 11.51 -122.95 0 6 -2 101 395.436 5 ↓
Mid Mid (pH 6-8) 2.95 10.33 -57.97 0 6 -1 95 396.444 5 ↓
Mid Mid (pH 6-8) 3.53 8.72 -64.85 1 6 -1 98 396.444 4 ↓

Analogs

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Popular Name: 3-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(5-methyl-2-thienyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-ben 3-[(2R)-3-(cyclopropanecarbonyl)…

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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 11.64 -120.1 0 6 -2 101 395.436 5 ↓
Mid Mid (pH 6-8) 3.38 9.37 -75.22 1 6 -1 98 396.444 4 ↓
Mid Mid (pH 6-8) 2.79 10.65 -68.19 0 6 -1 95 396.444 5 ↓

Analogs

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Popular Name: 3-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(5-methyl-2-thienyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-ben 3-[(2S)-3-(cyclopropanecarbonyl)…

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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 11.83 -122.46 0 6 -2 101 395.436 5 ↓
Mid Mid (pH 6-8) 3.38 9.49 -77.08 1 6 -1 98 396.444 4 ↓
Mid Mid (pH 6-8) 2.79 10.88 -71.57 0 6 -1 95 396.444 5 ↓

Analogs

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Popular Name: 3-[(2R)-2-(4-bromo-2-thienyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4-methyl-benz 3-[(2R)-2-(4-bromo-2-thienyl)-3-…

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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) 3.89 11.42 -112.63 0 6 -2 101 460.305 5 ↓
Mid Mid (pH 6-8) 3.31 10.45 -64.24 0 6 -1 95 461.313 5 ↓
Mid Mid (pH 6-8) 3.89 9.08 -71.08 1 6 -1 98 461.313 4 ↓

Analogs

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Popular Name: 3-[(2S)-2-(4-bromo-2-thienyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4-methyl-benz 3-[(2S)-2-(4-bromo-2-thienyl)-3-…

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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) 3.89 11.62 -114.81 0 6 -2 101 460.305 5 ↓
Mid Mid (pH 6-8) 3.31 10.67 -67.18 0 6 -1 95 461.313 5 ↓
Mid Mid (pH 6-8) 3.89 9.28 -72.17 1 6 -1 98 461.313 4 ↓

Analogs

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Popular Name: 3-[(5R)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-(2-thienyl)-5H-pyrrol-1-yl]-4-methyl-benzoic 3-[(5R)-4-(cyclopropanecarbonyl)…

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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) 3.15 10.81 -118.82 0 6 -2 101 381.409 5 ↓
Mid Mid (pH 6-8) 2.57 9.81 -67.73 0 6 -1 95 382.417 5 ↓
Mid Mid (pH 6-8) 3.15 8.53 -74.65 1 6 -1 98 382.417 4 ↓

Analogs

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Popular Name: 3-[(5S)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-(2-thienyl)-5H-pyrrol-1-yl]-4-methyl-benzoic 3-[(5S)-4-(cyclopropanecarbonyl)…

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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) 3.15 11 -121.13 0 6 -2 101 381.409 5 ↓
Mid Mid (pH 6-8) 2.57 9.81 -69.77 0 6 -1 95 382.417 5 ↓
Mid Mid (pH 6-8) 3.15 8.53 -74.96 1 6 -1 98 382.417 4 ↓

Analogs

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Popular Name: 2-[4-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(3-methyl-2-thienyl)-5-oxo-2H-pyrrol-1-yl]phenyl]ace 2-[4-[(2R)-3-(cyclopropanecarbon…

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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) 2.67 11.16 -106.61 0 6 -2 101 395.436 6 ↓
Mid Mid (pH 6-8) 2.08 10.27 -57.34 0 6 -1 95 396.444 6 ↓
Mid Mid (pH 6-8) 2.67 8.87 -63.01 1 6 -1 98 396.444 5 ↓

Analogs

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Popular Name: 2-[4-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(3-methyl-2-thienyl)-5-oxo-2H-pyrrol-1-yl]phenyl]ace 2-[4-[(2S)-3-(cyclopropanecarbon…

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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) 2.67 11.16 -106.68 0 6 -2 101 395.436 6 ↓
Mid Mid (pH 6-8) 2.08 10.22 -58.91 0 6 -1 95 396.444 6 ↓
Mid Mid (pH 6-8) 2.67 8.74 -63.36 1 6 -1 98 396.444 5 ↓

Analogs

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Popular Name: 2-[4-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(5-methyl-2-thienyl)-5-oxo-2H-pyrrol-1-yl]phenyl]ace 2-[4-[(2R)-3-(cyclopropanecarbon…

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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) 2.51 11.21 -110.23 0 6 -2 101 395.436 6 ↓
Mid Mid (pH 6-8) 1.93 10.29 -63.04 0 6 -1 95 396.444 6 ↓
Mid Mid (pH 6-8) 2.51 9.02 -69.21 1 6 -1 98 396.444 5 ↓

Analogs

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Popular Name: 2-[4-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(5-methyl-2-thienyl)-5-oxo-2H-pyrrol-1-yl]phenyl]ace 2-[4-[(2S)-3-(cyclopropanecarbon…

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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) 2.51 11.24 -111.24 0 6 -2 101 395.436 6 ↓
Mid Mid (pH 6-8) 1.93 10.33 -61.62 0 6 -1 95 396.444 6 ↓
Mid Mid (pH 6-8) 2.51 9.07 -66.99 1 6 -1 98 396.444 5 ↓

Analogs

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Popular Name: 2-[4-[(2R)-2-(4-bromo-2-thienyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]phenyl]acet 2-[4-[(2R)-2-(4-bromo-2-thienyl)…

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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) 3.03 11.01 -104.52 0 6 -2 101 460.305 6 ↓
Mid Mid (pH 6-8) 2.44 10.09 -59.06 0 6 -1 95 461.313 6 ↓
Mid Mid (pH 6-8) 3.03 8.84 -64.78 1 6 -1 98 461.313 5 ↓

Analogs

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Popular Name: 2-[4-[(2S)-2-(4-bromo-2-thienyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]phenyl]acet 2-[4-[(2S)-2-(4-bromo-2-thienyl)…

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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) 3.03 11.01 -104.03 0 6 -2 101 460.305 6 ↓
Mid Mid (pH 6-8) 2.44 10.09 -58.86 0 6 -1 95 461.313 6 ↓
Mid Mid (pH 6-8) 3.03 8.81 -63.65 1 6 -1 98 461.313 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(5R)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-(2-thienyl)-5H-pyrrol-1-yl]phenyl]acetic 2-[4-[(5R)-4-(cyclopropanecarbon…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.29 10.4 -109.48 0 6 -2 101 381.409 6 ↓
Mid Mid (pH 6-8) 1.71 9.46 -63.07 0 6 -1 95 382.417 6 ↓
Mid Mid (pH 6-8) 2.29 8.19 -69.08 1 6 -1 98 382.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(5S)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-(2-thienyl)-5H-pyrrol-1-yl]phenyl]acetic 2-[4-[(5S)-4-(cyclopropanecarbon…

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Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.29 10.41 -110.48 0 6 -2 101 381.409 6 ↓
Mid Mid (pH 6-8) 1.71 9.48 -61.72 0 6 -1 95 382.417 6 ↓
Mid Mid (pH 6-8) 2.29 8.22 -67.13 1 6 -1 98 382.417 5 ↓

Parameters Provided:

ring.id = 129245
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 = 129245 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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