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Analogs

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Popular Name: 2-[(5S)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-phenyl-5H-pyrrol-1-yl]-1,3-benzothiazole-6-carbox 2-[(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) 3.41 11.54 -100.85 0 7 -2 113 418.43 5 ↓
Mid Mid (pH 6-8) 2.83 10.64 -58.23 0 7 -1 107 419.438 5 ↓
Mid Mid (pH 6-8) 3.41 9.34 -63.19 1 7 -1 111 419.438 4 ↓

Analogs

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Popular Name: 2-[(5R)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-phenyl-5H-pyrrol-1-yl]-1,3-benzothiazole-6-carbox 2-[(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) 3.41 11.58 -101.03 0 7 -2 113 418.43 5 ↓
Mid Mid (pH 6-8) 2.83 10.64 -57.68 0 7 -1 107 419.438 5 ↓
Mid Mid (pH 6-8) 3.41 9.34 -63.28 1 7 -1 111 419.438 4 ↓

Analogs

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Popular Name: 2-[(2S)-2-(4-acetamidophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothia 2-[(2S)-2-(4-acetamidophenyl)-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) 2.63 10.48 -112.52 1 9 -2 143 475.482 6 ↓
Mid Mid (pH 6-8) 2.63 8.28 -66.9 2 9 -1 140 476.49 5 ↓
Mid Mid (pH 6-8) 2.05 9.52 -61.89 1 9 -1 137 476.49 6 ↓

Analogs

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Popular Name: 2-[(2R)-2-(4-acetamidophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothia 2-[(2R)-2-(4-acetamidophenyl)-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) 2.63 10.49 -113.63 1 9 -2 143 475.482 6 ↓
Mid Mid (pH 6-8) 2.05 9.56 -70.27 1 9 -1 137 476.49 6 ↓
Mid Mid (pH 6-8) 2.63 8.41 -75.41 2 9 -1 140 476.49 5 ↓

Analogs

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Popular Name: 2-[(2R)-2-(2-chlorophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazol 2-[(2R)-2-(2-chlorophenyl)-3-(cy…

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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 11.79 -98.16 0 7 -2 113 452.875 5 ↓
Mid Mid (pH 6-8) 3.46 10.48 -48.72 0 7 -1 107 453.883 5 ↓
Mid Mid (pH 6-8) 4.04 10.23 -55.77 1 7 -1 111 453.883 4 ↓

Analogs

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Popular Name: 2-[(2S)-2-(2-chlorophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazol 2-[(2S)-2-(2-chlorophenyl)-3-(cy…

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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 11.81 -98.19 0 7 -2 113 452.875 5 ↓
Mid Mid (pH 6-8) 3.46 10.21 -49.79 0 7 -1 107 453.883 5 ↓
Mid Mid (pH 6-8) 4.04 9.16 -67.81 1 7 -1 111 453.883 4 ↓

Analogs

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Popular Name: 2-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazole 2-[(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) 3.35 12.24 -92.52 0 10 -2 159 463.427 6 ↓
Mid Mid (pH 6-8) 2.76 11.25 -57.03 0 10 -1 153 464.435 6 ↓
Mid Mid (pH 6-8) 3.35 9.92 -61.41 1 10 -1 156 464.435 5 ↓

Analogs

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Popular Name: 2-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazole 2-[(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) 3.35 12.29 -110.88 0 10 -2 159 463.427 6 ↓
Mid Mid (pH 6-8) 2.76 11.33 -57.27 0 10 -1 153 464.435 6 ↓
Mid Mid (pH 6-8) 3.35 10.18 -60.22 1 10 -1 156 464.435 5 ↓

Analogs

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Popular Name: 2-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazole 2-[(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) 3.37 12.25 -97.12 0 10 -2 159 463.427 6 ↓
Mid Mid (pH 6-8) 2.79 11.25 -64.08 0 10 -1 153 464.435 6 ↓
Mid Mid (pH 6-8) 3.37 9.91 -67.91 1 10 -1 156 464.435 5 ↓

Analogs

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Popular Name: 2-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazole 2-[(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) 3.37 12.3 -97.39 0 10 -2 159 463.427 6 ↓
Mid Mid (pH 6-8) 2.79 11.31 -64.79 0 10 -1 153 464.435 6 ↓
Mid Mid (pH 6-8) 3.37 10.01 -68.28 1 10 -1 156 464.435 5 ↓

Analogs

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Popular Name: 2-[(2S)-2-(4-bromophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazole 2-[(2S)-2-(4-bromophenyl)-3-(cyc…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.22 12.16 -97.77 0 7 -2 113 497.326 5 ↓
Mid Mid (pH 6-8) 3.64 11.2 -58.79 0 7 -1 107 498.334 5 ↓
Mid Mid (pH 6-8) 4.22 9.86 -63.25 1 7 -1 111 498.334 4 ↓

Analogs

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Popular Name: 2-[(2R)-2-(4-bromophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazole 2-[(2R)-2-(4-bromophenyl)-3-(cyc…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.22 12.21 -97.93 0 7 -2 113 497.326 5 ↓
Mid Mid (pH 6-8) 3.64 11.29 -59.19 0 7 -1 107 498.334 5 ↓
Mid Mid (pH 6-8) 4.22 10.12 -63.06 1 7 -1 111 498.334 4 ↓

Analogs

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Popular Name: 2-[(2S)-2-(4-chlorophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazol 2-[(2S)-2-(4-chlorophenyl)-3-(cy…

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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) 4.09 12.06 -97.93 0 7 -2 113 452.875 5 ↓
Mid Mid (pH 6-8) 3.51 11.1 -58.88 0 7 -1 107 453.883 5 ↓
Mid Mid (pH 6-8) 4.09 9.76 -63.4 1 7 -1 111 453.883 4 ↓

Analogs

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Popular Name: 2-[(2R)-2-(4-chlorophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazol 2-[(2R)-2-(4-chlorophenyl)-3-(cy…

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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) 4.09 12.1 -98.18 0 7 -2 113 452.875 5 ↓
Mid Mid (pH 6-8) 3.51 11.18 -59.3 0 7 -1 107 453.883 5 ↓
Mid Mid (pH 6-8) 4.09 10.02 -63.24 1 7 -1 111 453.883 4 ↓

Analogs

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Popular Name: 2-[(2S)-3-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazol 2-[(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) 3.58 11.6 -98.11 0 7 -2 113 436.42 5 ↓
Mid Mid (pH 6-8) 2.99 10.64 -59.67 0 7 -1 107 437.428 5 ↓
Mid Mid (pH 6-8) 3.58 9.31 -64.13 1 7 -1 111 437.428 4 ↓

Analogs

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Popular Name: 2-[(2R)-3-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazol 2-[(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) 3.58 11.65 -98.32 0 7 -2 113 436.42 5 ↓
Mid Mid (pH 6-8) 2.99 10.73 -60.06 0 7 -1 107 437.428 5 ↓
Mid Mid (pH 6-8) 3.58 9.56 -64 1 7 -1 111 437.428 4 ↓

Analogs

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Popular Name: 2-[(2S)-3-(cyclopropanecarbonyl)-2-[2-(difluoromethoxy)phenyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-b 2-[(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) 3.98 11.54 -102.26 0 8 -2 123 484.436 7 ↓
Mid Mid (pH 6-8) 3.39 10.64 -60.39 0 8 -1 117 485.444 7 ↓
Mid Mid (pH 6-8) 3.98 9.38 -65.77 1 8 -1 120 485.444 6 ↓

Analogs

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Popular Name: 2-[(2R)-3-(cyclopropanecarbonyl)-2-[2-(difluoromethoxy)phenyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-b 2-[(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) 3.98 11.58 -102.3 0 8 -2 123 484.436 7 ↓
Mid Mid (pH 6-8) 3.39 10.67 -62.01 0 8 -1 117 485.444 7 ↓
Mid Mid (pH 6-8) 3.98 9.4 -65.93 1 8 -1 120 485.444 6 ↓

Analogs

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Popular Name: 2-[(2S)-2-(3-bromophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazole 2-[(2S)-2-(3-bromophenyl)-3-(cyc…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.20 12.15 -101.97 0 7 -2 113 497.326 5 ↓
Mid Mid (pH 6-8) 3.61 11.19 -61.21 0 7 -1 107 498.334 5 ↓
Mid Mid (pH 6-8) 4.20 9.84 -65.96 1 7 -1 111 498.334 4 ↓

Analogs

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Popular Name: 2-[(2R)-2-(3-bromophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazole 2-[(2R)-2-(3-bromophenyl)-3-(cyc…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.20 12.2 -102.2 0 7 -2 113 497.326 5 ↓
Mid Mid (pH 6-8) 3.61 11.28 -61.83 0 7 -1 107 498.334 5 ↓
Mid Mid (pH 6-8) 4.20 10.03 -66.05 1 7 -1 111 498.334 4 ↓

Analogs

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Popular Name: 2-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(2-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazole 2-[(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) 3.32 12.5 -99.86 0 10 -2 159 463.427 6 ↓
Mid Mid (pH 6-8) 2.74 10.77 -54.46 0 10 -1 153 464.435 6 ↓
Mid Mid (pH 6-8) 3.32 9.96 -57.98 1 10 -1 156 464.435 5 ↓

Analogs

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Popular Name: 2-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(2-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazole 2-[(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) 3.32 12.15 -100.14 0 10 -2 159 463.427 6 ↓
Mid Mid (pH 6-8) 2.74 10.85 -54.29 0 10 -1 153 464.435 6 ↓
Mid Mid (pH 6-8) 3.32 9.76 -58.54 1 10 -1 156 464.435 5 ↓

Analogs

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Popular Name: 2-[(2S)-3-(cyclopropanecarbonyl)-2-(2,3-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzoth 2-[(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) 3.23 11.3 -100.46 0 9 -2 132 478.482 7 ↓
Mid Mid (pH 6-8) 2.65 10.4 -57.02 0 9 -1 126 479.49 7 ↓
Mid Mid (pH 6-8) 3.23 8.82 -64.04 1 9 -1 129 479.49 6 ↓

Analogs

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Popular Name: 2-[(2R)-3-(cyclopropanecarbonyl)-2-(2,3-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzoth 2-[(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) 3.23 11.18 -98.76 0 9 -2 132 478.482 7 ↓
Mid Mid (pH 6-8) 2.65 10.38 -57.33 0 9 -1 126 479.49 7 ↓
Mid Mid (pH 6-8) 3.23 8.84 -63.33 1 9 -1 129 479.49 6 ↓

Analogs

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Popular Name: 2-[(2R)-3-(cyclopropanecarbonyl)-2-(2,4-dichlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothi 2-[(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) 4.70 12.3 -93.85 0 7 -2 113 487.32 5 ↓
Mid Mid (pH 6-8) 4.11 10.96 -48.47 0 7 -1 107 488.328 5 ↓
Mid Mid (pH 6-8) 4.70 10.75 -54.26 1 7 -1 111 488.328 4 ↓

Analogs

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Popular Name: 2-[(2S)-3-(cyclopropanecarbonyl)-2-(2,4-dichlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothi 2-[(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) 4.70 12.33 -93.88 0 7 -2 113 487.32 5 ↓
Mid Mid (pH 6-8) 4.11 10.69 -50.06 0 7 -1 107 488.328 5 ↓
Mid Mid (pH 6-8) 4.70 9.75 -66.53 1 7 -1 111 488.328 4 ↓

Analogs

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Popular Name: 2-[(2S)-3-(cyclopropanecarbonyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzoth 2-[(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) 3.06 10.73 -100.06 0 9 -2 132 478.482 7 ↓
Mid Mid (pH 6-8) 2.47 9.78 -59.02 0 9 -1 126 479.49 7 ↓
Mid Mid (pH 6-8) 3.06 8.46 -64.49 1 9 -1 129 479.49 6 ↓

Analogs

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Popular Name: 2-[(2R)-3-(cyclopropanecarbonyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzoth 2-[(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) 3.06 10.78 -103.56 0 9 -2 132 478.482 7 ↓
Mid Mid (pH 6-8) 2.47 9.88 -59.1 0 9 -1 126 479.49 7 ↓
Mid Mid (pH 6-8) 3.06 8.73 -63.91 1 9 -1 129 479.49 6 ↓

Analogs

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Popular Name: 2-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazo 2-[(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) 3.47 10.88 -100.21 0 8 -2 123 448.456 6 ↓
Mid Mid (pH 6-8) 2.88 9.33 -50.7 0 8 -1 117 449.464 6 ↓
Mid Mid (pH 6-8) 3.47 9.32 -59.69 1 8 -1 120 449.464 5 ↓

Analogs

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Popular Name: 2-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazo 2-[(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) 3.47 10.88 -100.18 0 8 -2 123 448.456 6 ↓
Mid Mid (pH 6-8) 2.88 9.94 -58.39 0 8 -1 117 449.464 6 ↓
Mid Mid (pH 6-8) 3.47 8.64 -64.02 1 8 -1 120 449.464 5 ↓

Analogs

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Popular Name: 2-[(2S)-3-(cyclopropanecarbonyl)-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzoth 2-[(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) 3.45 10.55 -105.03 0 9 -2 132 478.482 7 ↓
Mid Mid (pH 6-8) 2.87 9.79 -50.99 0 9 -1 126 479.49 7 ↓
Mid Mid (pH 6-8) 3.45 8.82 -58.75 1 9 -1 129 479.49 6 ↓

Analogs

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Popular Name: 2-[(2R)-3-(cyclopropanecarbonyl)-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzoth 2-[(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) 3.45 10.58 -105.11 0 9 -2 132 478.482 7 ↓
Mid Mid (pH 6-8) 2.87 9.64 -62.52 0 9 -1 126 479.49 7 ↓
Mid Mid (pH 6-8) 3.45 8.3 -67.27 1 9 -1 129 479.49 6 ↓

Analogs

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Popular Name: 2-[(5S)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-[4-(trifluoromethyl)phenyl]-5H-pyrrol-1-yl]-1,3-b 2-[(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) 4.31 12.54 -97.45 0 7 -2 113 486.427 6 ↓
Mid Mid (pH 6-8) 3.72 11.58 -60.14 0 7 -1 107 487.435 6 ↓
Mid Mid (pH 6-8) 4.31 10.24 -64.38 1 7 -1 111 487.435 5 ↓

Analogs

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Popular Name: 2-[(5R)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-[4-(trifluoromethyl)phenyl]-5H-pyrrol-1-yl]-1,3-b 2-[(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) 4.31 12.59 -97.7 0 7 -2 113 486.427 6 ↓
Mid Mid (pH 6-8) 3.72 11.64 -60.82 0 7 -1 107 487.435 6 ↓
Mid Mid (pH 6-8) 4.31 10.34 -64.7 1 7 -1 111 487.435 5 ↓

Analogs

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Popular Name: 2-[(2R)-3-(cyclopropanecarbonyl)-2-(2,4-difluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothi 2-[(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) 3.67 11.09 -83.57 0 7 -2 113 454.41 5 ↓
Mid Mid (pH 6-8) 3.08 10.12 -49.17 0 7 -1 107 455.418 5 ↓
Mid Mid (pH 6-8) 3.67 10.01 -54.54 1 7 -1 111 455.418 4 ↓

Analogs

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Popular Name: 2-[(2S)-3-(cyclopropanecarbonyl)-2-(2,4-difluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothi 2-[(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) 3.67 11.75 -104.27 0 7 -2 113 454.41 5 ↓
Mid Mid (pH 6-8) 3.08 10.12 -48.66 0 7 -1 107 455.418 5 ↓
Mid Mid (pH 6-8) 3.67 10.01 -55.1 1 7 -1 111 455.418 4 ↓

Analogs

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Popular Name: 2-[(2R)-3-(cyclopropanecarbonyl)-2-(2,3-dichlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothi 2-[(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) 4.67 12.26 -94.32 0 7 -2 113 487.32 5 ↓
Mid Mid (pH 6-8) 4.09 10.93 -48.87 0 7 -1 107 488.328 5 ↓
Mid Mid (pH 6-8) 4.67 10.78 -53.46 1 7 -1 111 488.328 4 ↓

Analogs

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Popular Name: 2-[(2S)-3-(cyclopropanecarbonyl)-2-(2,3-dichlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothi 2-[(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) 4.67 12.28 -94.33 0 7 -2 113 487.32 5 ↓
Mid Mid (pH 6-8) 4.09 11.32 -52.03 0 7 -1 107 488.328 5 ↓
Mid Mid (pH 6-8) 4.67 10.18 -55.19 1 7 -1 111 488.328 4 ↓

Analogs

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Popular Name: 2-[(2S)-3-(cyclopropanecarbonyl)-2-(3,4-dichlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothi 2-[(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) 4.70 12.51 -99.63 0 7 -2 113 487.32 5 ↓
Mid Mid (pH 6-8) 4.11 10.99 -51.23 0 7 -1 107 488.328 5 ↓
Mid Mid (pH 6-8) 4.70 10.99 -61.86 1 7 -1 111 488.328 4 ↓

Analogs

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Popular Name: 2-[(2R)-3-(cyclopropanecarbonyl)-2-(3,4-dichlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothi 2-[(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) 4.70 12.55 -99.95 0 7 -2 113 487.32 5 ↓
Mid Mid (pH 6-8) 4.11 11.63 -55.98 0 7 -1 107 488.328 5 ↓
Mid Mid (pH 6-8) 4.70 10.49 -60.18 1 7 -1 111 488.328 4 ↓

Analogs

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Popular Name: 2-[(2S)-3-(cyclopropanecarbonyl)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-b 2-[(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) 4.03 11.12 -104.53 0 8 -2 123 484.436 7 ↓
Mid Mid (pH 6-8) 3.44 10.15 -59.55 0 8 -1 117 485.444 7 ↓
Mid Mid (pH 6-8) 4.03 8.81 -64.14 1 8 -1 120 485.444 6 ↓

Analogs

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Popular Name: 2-[(2R)-3-(cyclopropanecarbonyl)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-b 2-[(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) 4.03 11.16 -104.75 0 8 -2 123 484.436 7 ↓
Mid Mid (pH 6-8) 3.44 10.23 -63.6 0 8 -1 117 485.444 7 ↓
Mid Mid (pH 6-8) 4.03 8.92 -68.09 1 8 -1 120 485.444 6 ↓

Analogs

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Popular Name: 2-[(2S)-2-(4-butoxyphenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazol 2-[(2S)-2-(4-butoxyphenyl)-3-(cy…

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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) 4.91 13.33 -101.27 0 8 -2 123 490.537 9 ↓
Mid Mid (pH 6-8) 4.32 12.38 -58.62 0 8 -1 117 491.545 9 ↓
Mid Mid (pH 6-8) 4.91 11.04 -63.37 1 8 -1 120 491.545 8 ↓

Analogs

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Popular Name: 2-[(2R)-2-(4-butoxyphenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazol 2-[(2R)-2-(4-butoxyphenyl)-3-(cy…

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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) 4.91 13.39 -99.9 0 8 -2 123 490.537 9 ↓
Mid Mid (pH 6-8) 4.32 12.45 -59.14 0 8 -1 117 491.545 9 ↓
Mid Mid (pH 6-8) 4.91 11.15 -63.61 1 8 -1 120 491.545 8 ↓

Analogs

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Popular Name: 2-[(2S)-2-(4-carboxyphenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazo 2-[(2S)-2-(4-carboxyphenyl)-3-(c…

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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) 3.32 12.1 -162.37 0 9 -3 154 461.431 6 ↓
Mid Mid (pH 6-8) 2.74 10.2 -112.73 0 9 -2 148 462.439 6 ↓
Mid Mid (pH 6-8) 3.32 8.86 -116.76 1 9 -2 151 462.439 5 ↓

Analogs

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Popular Name: 2-[(2R)-2-(4-carboxyphenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazo 2-[(2R)-2-(4-carboxyphenyl)-3-(c…

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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) 3.32 12.15 -162.43 0 9 -3 154 461.431 6 ↓
Mid Mid (pH 6-8) 2.74 10.3 -112.86 0 9 -2 148 462.439 6 ↓
Mid Mid (pH 6-8) 3.32 9.13 -116.65 1 9 -2 151 462.439 5 ↓

Analogs

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Popular Name: 2-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazo 2-[(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) 3.44 10.85 -98.96 0 8 -2 123 448.456 6 ↓
Mid Mid (pH 6-8) 2.86 9.87 -56.51 0 8 -1 117 449.464 6 ↓
Mid Mid (pH 6-8) 3.44 8.53 -61.2 1 8 -1 120 449.464 5 ↓

Analogs

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Popular Name: 2-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazo 2-[(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) 3.44 10.88 -98.88 0 8 -2 123 448.456 6 ↓
Mid Mid (pH 6-8) 2.86 9.96 -56.56 0 8 -1 117 449.464 6 ↓
Mid Mid (pH 6-8) 3.44 8.81 -60.66 1 8 -1 120 449.464 5 ↓

Analogs

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Popular Name: 2-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2H-pyrrol-1-yl]-1,3-benzothia 2-[(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) 4.92 13.47 -101.04 0 7 -2 113 460.511 6 ↓
Mid Mid (pH 6-8) 4.34 12.52 -58.01 0 7 -1 107 461.519 6 ↓
Mid Mid (pH 6-8) 4.92 11.18 -62.99 1 7 -1 111 461.519 5 ↓

Analogs

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Popular Name: 2-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2H-pyrrol-1-yl]-1,3-benzothia 2-[(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) 4.92 13.51 -101.22 0 7 -2 113 460.511 6 ↓
Mid Mid (pH 6-8) 4.34 12.59 -58.54 0 7 -1 107 461.519 6 ↓
Mid Mid (pH 6-8) 4.92 11.43 -62.94 1 7 -1 111 461.519 5 ↓

Parameters Provided:

ring.id = 130509
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 = 130509 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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