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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: 4,6-dimethoxy-2,2-bis(morpholinomethyl)benzofuran-3-one 4,6-dimethoxy-2,2-bis(morpholino…

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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) 1.16 1.41 -11.2 0 8 0 70 392.452 6 ↓
Lo Low (pH 4.5-6) 1.16 3.34 -38.75 1 8 1 71 393.46 6 ↓

Analogs

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Popular Name: 5-propylbenzofuran-3-one 5-propylbenzofuran-3-one

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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) 2.61 5.71 -6.04 0 2 0 26 176.215 2 ↓

Analogs

43633187
43633187
43633244
43633244

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Popular Name: (2S)-2-methyl-5-propyl-benzofuran-3-one (2S)-2-methyl-5-propyl-benzofura…

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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 6.48 -5.5 0 2 0 26 190.242 2 ↓

Analogs

34427901
34427901

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Popular Name: 6-Bromo-3(2H)-benzofuranone 6-Bromo-3(2H)-benzofuranone

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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) 2.12 4.11 -4.76 0 2 0 26 213.03 0 ↓

Analogs

31671481
31671481
34561123
34561123

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Popular Name: 6-Chloro-3-benzofuranone 6-Chloro-3-benzofuranone

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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) 1.98 4.01 -4.85 0 2 0 26 168.579 0 ↓

Analogs

34990640
34990640
34990648
34990648
34993859
34993859
34993871
34993871

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Popular Name: 4-Fluorobenzofuran-3(2H)-one 4-Fluorobenzofuran-3(2H)-one

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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) 1.45 3.58 -9.25 0 2 0 26 152.124 0 ↓

Analogs

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Popular Name: 6-Fluorobenzofuran-3(2H)-one 6-Fluorobenzofuran-3(2H)-one

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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) 1.47 3.57 -5.04 0 2 0 26 152.124 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(Trifluoromethoxy)benzo[b]furan-3(2H)-one 5-(Trifluoromethoxy)benzo[b]fura…

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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) 2.28 3.28 -5.46 0 3 0 36 218.13 2 ↓

Analogs

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Popular Name: 2,2-difluoro-2-(3-oxobenzofuran-6-yl)oxy-acetic 2,2-difluoro-2-(3-oxobenzofuran-…

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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) 1.24 3.9 -40.47 0 5 -1 76 243.141 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-oxobenzofuran-6-yl)oxypropanal 3-(3-oxobenzofuran-6-yl)oxypropanal

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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) 1.45 3.61 -11.58 0 4 0 53 206.197 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,7-difluoro-2,3-dihydro-1-benzofuran-3-one 6,7-difluoro-2,3-dihydro-1-benzo…

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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) 1.56 3.6 -6.5 0 2 0 26 170.114 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6,7-difluoro-2-methyl-benzofuran-3-one (2R)-6,7-difluoro-2-methyl-benzo…

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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) 1.92 4.36 -5.68 0 2 0 26 184.141 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2S)-3,3,3-trifluoro-2-hydroxy-propoxy]benzofuran-3-one 6-[(2S)-3,3,3-trifluoro-2-hydrox…

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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) 1.64 1.88 -8.66 1 4 0 56 262.183 4 ↓
Hi High (pH 8-9.5) 1.64 2.42 -42 0 4 -1 59 261.175 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2R)-3,3,3-trifluoro-2-hydroxy-propoxy]benzofuran-3-one 6-[(2R)-3,3,3-trifluoro-2-hydrox…

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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) 1.64 1.88 -8.65 1 4 0 56 262.183 4 ↓
Hi High (pH 8-9.5) 1.64 2.42 -41.98 0 4 -1 59 261.175 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-5-hydroxy-2,2-dimethyl-benzofuran-3-one 6-chloro-5-hydroxy-2,2-dimethyl-…

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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) 2.50 2.56 -5.17 1 3 0 47 212.632 0 ↓
Hi High (pH 8-9.5) 2.50 3.31 -40.2 0 3 -1 49 211.624 0 ↓

Analogs

34602070
34602070

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-fluorobenzyl)oxycoumaran-3-one 5-(4-fluorobenzyl)oxycoumaran-3-one

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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) 3.12 6.84 -9.81 0 3 0 36 258.248 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3-chloropropoxy)coumaran-3-one 6-(3-chloropropoxy)coumaran-3-one

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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) 2.24 5.14 -7.78 0 3 0 36 226.659 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2S)-2-hydroxy-3-methoxy-propoxy]benzofuran-3-one 6-[(2S)-2-hydroxy-3-methoxy-prop…

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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) 0.70 0.86 -11.09 1 5 0 65 238.239 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2R)-2-hydroxy-3-methoxy-propoxy]benzofuran-3-one 6-[(2R)-2-hydroxy-3-methoxy-prop…

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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) 0.70 0.86 -11.06 1 5 0 65 238.239 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-cyclopropyl-2-oxo-ethoxy)benzofuran-3-one 6-(2-cyclopropyl-2-oxo-ethoxy)be…

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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) 1.40 6.33 -12.8 0 4 0 53 232.235 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-3-(3-oxobenzofuran-6-yl)oxy-propanamide N,N-dimethyl-3-(3-oxobenzofuran-…

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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) 0.54 4.06 -11.26 0 5 0 56 249.266 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(3R)-1,1-dioxothiolan-3-yl]oxybenzofuran-3-one 6-[(3R)-1,1-dioxothiolan-3-yl]ox…

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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) 0.88 1.64 -15.91 0 5 0 70 268.29 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(3S)-1,1-dioxothiolan-3-yl]oxybenzofuran-3-one 6-[(3S)-1,1-dioxothiolan-3-yl]ox…

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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) 0.88 1.63 -16.55 0 5 0 70 268.29 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2-methylthiazol-5-yl)methoxy]benzofuran-3-one 6-[(2-methylthiazol-5-yl)methoxy…

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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) 1.84 4.78 -10 0 4 0 48 261.302 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-oxobenzofuran-6-yl)oxy-N-tetrahydropyran-4-yl-acetamide 2-(3-oxobenzofuran-6-yl)oxy-N-te…

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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) 0.84 3.5 -15.36 1 6 0 74 291.303 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-pyrazol-1-ylethoxy)benzofuran-3-one 6-(2-pyrazol-1-ylethoxy)benzofur…

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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) 1.44 4.76 -9.7 0 5 0 53 244.25 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]benzofuran-3-one 6-[(5-cyclopropyl-1,2,4-oxadiazo…

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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) 1.40 3.72 -11.52 0 6 0 74 272.26 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzofuran-3-one 6-[(5-propyl-1,2,4-oxadiazol-3-y…

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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) 2.11 3.68 -10.99 0 6 0 74 274.276 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-methyl-2-(3-oxobenzofuran-6-yl)oxy-acetamide N-cyclopropyl-N-methyl-2-(3-oxob…

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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 5.83 -15.58 0 5 0 56 261.277 4 ↓

Analogs

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Popular Name: 6-(2-isopentyloxyethoxy)benzofuran-3-one 6-(2-isopentyloxyethoxy)benzofur…

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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) 2.91 6.07 -8.11 0 4 0 45 264.321 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[2-(2,2,2-trifluoroethoxy)ethoxy]benzofuran-3-one 6-[2-(2,2,2-trifluoroethoxy)etho…

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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) 2.18 4.44 -11.3 0 4 0 45 276.21 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzofuran-3-one 6-[(5-ethyl-1,2,4-oxadiazol-3-yl…

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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) 1.61 2.91 -11.46 0 6 0 74 260.249 4 ↓

Analogs

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Popular Name: 6-[(4-bromo-2-thienyl)methoxy]benzofuran-3-one 6-[(4-bromo-2-thienyl)methoxy]be…

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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) 3.59 6.49 -7.76 0 3 0 36 325.183 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-oxobenzofuran-6-yl)oxybutanenitrile (2S)-2-(3-oxobenzofuran-6-yl)oxy…

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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 4.86 -9.55 0 4 0 59 217.224 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-oxobenzofuran-6-yl)oxybutanenitrile (2R)-2-(3-oxobenzofuran-6-yl)oxy…

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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 4.86 -9.57 0 4 0 59 217.224 3 ↓

Analogs

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Popular Name: 6-(2-methylsulfonylethoxy)benzofuran-3-one 6-(2-methylsulfonylethoxy)benzof…

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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) 0.76 1.32 -16.29 0 5 0 70 256.279 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2,5-difluorophenyl)methoxy]benzofuran-3-one 6-[(2,5-difluorophenyl)methoxy]b…

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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) 3.21 7.02 -7.39 0 3 0 36 276.238 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-oxobenzofuran-6-yl)oxypropanenitrile (2S)-2-(3-oxobenzofuran-6-yl)oxy…

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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) 1.51 4.07 -10.76 0 4 0 59 203.197 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-oxobenzofuran-6-yl)oxypropanenitrile (2R)-2-(3-oxobenzofuran-6-yl)oxy…

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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) 1.51 4.07 -10.75 0 4 0 59 203.197 2 ↓

Analogs

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Popular Name: 6-[(4-ethylphenyl)methoxy]benzofuran-3-one 6-[(4-ethylphenyl)methoxy]benzof…

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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 8.24 -7.32 0 3 0 36 268.312 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(3-bromo-2-thienyl)methoxy]benzofuran-3-one 6-[(3-bromo-2-thienyl)methoxy]be…

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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) 3.59 6.43 -7.77 0 3 0 36 325.183 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[3-(2,2,2-trifluoroethoxy)propoxy]benzofuran-3-one 6-[3-(2,2,2-trifluoroethoxy)prop…

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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) 2.54 5.04 -10.71 0 4 0 45 290.237 7 ↓

Analogs

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Popular Name: N,N-dimethyl-4-(3-oxobenzofuran-6-yl)oxy-butanamide N,N-dimethyl-4-(3-oxobenzofuran-…

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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) 0.81 4.83 -14.89 0 5 0 56 263.293 5 ↓

Analogs

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Popular Name: 3-(3-oxobenzofuran-6-yl)oxypropanamide 3-(3-oxobenzofuran-6-yl)oxypropa…

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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 0.62 -11.36 2 5 0 79 221.212 4 ↓

Analogs

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Popular Name: 6-(2-butoxyethoxy)benzofuran-3-one 6-(2-butoxyethoxy)benzofuran-3-one

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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) 2.69 5.56 -8.14 0 4 0 45 250.294 7 ↓

Analogs

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Popular Name: (2S)-2-methyl-3-(3-oxobenzofuran-6-yl)oxy-propanamide (2S)-2-methyl-3-(3-oxobenzofuran…

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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) 0.84 1.31 -10.93 2 5 0 79 235.239 4 ↓

Analogs

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Popular Name: (2R)-2-methyl-3-(3-oxobenzofuran-6-yl)oxy-propanamide (2R)-2-methyl-3-(3-oxobenzofuran…

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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) 0.84 1.31 -10.93 2 5 0 79 235.239 4 ↓

Analogs

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Popular Name: 6-(cyclopropylmethoxy)benzofuran-3-one 6-(cyclopropylmethoxy)benzofuran…

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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) 2.23 5.32 -6.23 0 3 0 36 204.225 3 ↓

Analogs

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Popular Name: 6-(3-thienylmethoxy)benzofuran-3-one 6-(3-thienylmethoxy)benzofuran-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) 2.55 5.71 -7.59 0 3 0 36 246.287 3 ↓

Analogs

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Popular Name: 6-(2-ethylsulfonylethoxy)benzofuran-3-one 6-(2-ethylsulfonylethoxy)benzofu…

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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 2.21 -15.64 0 5 0 70 270.306 5 ↓

Parameters Provided:

ring.id = 38885
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 = 38885 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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