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Analogs

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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) 1.71 -0.24 -8.26 2 5 0 71 277.198 4 ↓
Hi High (pH 8-9.5) 1.71 0.31 -42.13 1 5 -1 74 276.19 4 ↓

Analogs

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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) 1.71 -0.24 -8.26 2 5 0 71 277.198 4 ↓
Hi High (pH 8-9.5) 1.71 0.31 -42.1 1 5 -1 74 276.19 4 ↓

Analogs

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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) 0.77 -1.25 -10.87 2 6 0 81 253.254 5 ↓

Analogs

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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) 0.77 -1.25 -10.86 2 6 0 81 253.254 5 ↓

Analogs

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Popular Name: 6-[(2R)-2-methylbutoxy]benzofuran-3-one 6-[(2R)-2-methylbutoxy]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) 3.05 3.77 -5.63 1 4 0 51 235.283 4 ↓

Analogs

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Popular Name: 6-[(2S)-2-methylbutoxy]benzofuran-3-one 6-[(2S)-2-methylbutoxy]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) 3.05 3.77 -5.63 1 4 0 51 235.283 4 ↓

Analogs

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Popular Name: 6-[[(2S)-tetrahydrofuran-2-yl]methoxy]benzofuran-3-one 6-[[(2S)-tetrahydrofuran-2-yl]me…

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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) 1.80 2.07 -8.56 1 5 0 60 249.266 3 ↓

Analogs

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Popular Name: 6-[[(2R)-tetrahydrofuran-2-yl]methoxy]benzofuran-3-one 6-[[(2R)-tetrahydrofuran-2-yl]me…

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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) 1.80 1.99 -8.59 1 5 0 60 249.266 3 ↓

Analogs

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Popular Name: 3-[(3Z)-3-hydroxyiminobenzofuran-6-yl]oxy-N-isopropyl-propanamide 3-[(3Z)-3-hydroxyiminobenzofuran…

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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) 1.48 1.64 -10.12 2 6 0 80 278.308 5 ↓

Analogs

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Popular Name: N-cyclopropyl-3-[(3Z)-3-hydroxyiminobenzofuran-6-yl]oxy-propanamide N-cyclopropyl-3-[(3Z)-3-hydroxyi…

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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) 1.17 1.71 -10.08 2 6 0 80 276.292 5 ↓

Analogs

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Popular Name: 6-(pyrimidin-2-ylmethoxy)benzofuran-3-one 6-(pyrimidin-2-ylmethoxy)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) 0.99 1.94 -10.91 1 6 0 77 257.249 3 ↓

Analogs

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Popular Name: 3-[[(3Z)-3-hydroxyiminobenzofuran-6-yl]oxymethyl]pyridine-2-carbonitrile 3-[[(3Z)-3-hydroxyiminobenzofura…

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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) 1.95 3.23 -10.42 1 6 0 88 281.271 3 ↓

Analogs

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Popular Name: (2S)-2-[(3Z)-3-hydroxyiminobenzofuran-6-yl]oxybutanamide (2S)-2-[(3Z)-3-hydroxyiminobenzo…

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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) 1.03 0.17 -13.4 3 6 0 94 250.254 4 ↓

Analogs

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Popular Name: (2R)-2-[(3Z)-3-hydroxyiminobenzofuran-6-yl]oxybutanamide (2R)-2-[(3Z)-3-hydroxyiminobenzo…

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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) 1.03 0.17 -13.43 3 6 0 94 250.254 4 ↓

Analogs

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Popular Name: 6-(tetrahydropyran-4-ylmethoxy)benzofuran-3-one 6-(tetrahydropyran-4-ylmethoxy)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) 2.19 2.6 -7 1 5 0 60 263.293 3 ↓

Analogs

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Popular Name: 3-[(3Z)-3-hydroxyiminobenzofuran-6-yl]oxy-N,N-dimethyl-propanamide 3-[(3Z)-3-hydroxyiminobenzofuran…

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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) 0.61 1.97 -10.53 1 6 0 71 264.281 4 ↓

Analogs

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Popular Name: 6-(2-ethoxyethoxy)benzofuran-3-one 6-(2-ethoxyethoxy)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) 1.70 1.86 -8.1 1 5 0 60 237.255 5 ↓

Analogs

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Popular Name: 6-[(3,5-dimethylphenyl)methoxy]benzofuran-3-one 6-[(3,5-dimethylphenyl)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) 3.85 6 -7.22 1 4 0 51 283.327 3 ↓

Analogs

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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) 0.95 -0.48 -15.6 1 6 0 85 283.305 2 ↓

Analogs

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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) 0.95 -0.48 -16.29 1 6 0 85 283.305 2 ↓

Analogs

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Popular Name: 6-(2-hydroxyethoxy)benzofuran-3-one 6-(2-hydroxyethoxy)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) 0.80 -1.48 -8.99 2 5 0 71 209.201 3 ↓

Analogs

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Popular Name: 6-[2-(2-hydroxyethoxy)ethoxy]benzofuran-3-one 6-[2-(2-hydroxyethoxy)ethoxy]ben…

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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) 0.59 -1.16 -10.47 2 6 0 81 253.254 6 ↓

Analogs

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Popular Name: 2-[(3Z)-3-hydroxyiminobenzofuran-6-yl]oxyacetamide 2-[(3Z)-3-hydroxyiminobenzofuran…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.16 -1.2 -15.53 3 6 0 94 222.2 3 ↓

Analogs

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Popular Name: 6-(cyclopentylmethoxy)benzofuran-3-one 6-(cyclopentylmethoxy)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) 3.21 4.35 -5.65 1 4 0 51 247.294 3 ↓

Analogs

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Popular Name: (2S)-2-[(3Z)-3-hydroxyiminobenzofuran-6-yl]oxypropanenitrile (2S)-2-[(3Z)-3-hydroxyiminobenzo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.58 1.95 -10.58 1 5 0 75 218.212 2 ↓

Analogs

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Popular Name: (2R)-2-[(3Z)-3-hydroxyiminobenzofuran-6-yl]oxypropanenitrile (2R)-2-[(3Z)-3-hydroxyiminobenzo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.58 1.95 -10.58 1 5 0 75 218.212 2 ↓

Analogs

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Popular Name: 6-[(2,5-dimethylphenyl)methoxy]benzofuran-3-one 6-[(2,5-dimethylphenyl)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) 3.85 6.02 -7.46 1 4 0 51 283.327 3 ↓

Analogs

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Popular Name: 2-[(3Z)-3-hydroxyiminobenzofuran-6-yl]oxy-N-(2-methoxyethyl)acetamide 2-[(3Z)-3-hydroxyiminobenzofuran…

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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) 0.52 0.15 -15.01 2 7 0 89 280.28 6 ↓

Analogs

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Popular Name: N-(1,1-dimethylpropyl)-2-[(3Z)-3-hydroxyiminobenzofuran-6-yl]oxy-acetamide N-(1,1-dimethylpropyl)-2-[(3Z)-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) 2.22 2.74 -13.88 2 6 0 80 292.335 5 ↓

Analogs

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Popular Name: N-(1-ethylpropyl)-2-[(3Z)-3-hydroxyiminobenzofuran-6-yl]oxy-acetamide N-(1-ethylpropyl)-2-[(3Z)-3-hydr…

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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 3.36 -14.01 2 6 0 80 292.335 6 ↓

Analogs

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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) 1.50 2.63 -9.13 1 6 0 69 259.265 4 ↓

Analogs

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Popular Name: N-butyl-2-[(3Z)-3-hydroxyiminobenzofuran-6-yl]oxy-acetamide N-butyl-2-[(3Z)-3-hydroxyiminobe…

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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) 1.97 2.62 -14.81 2 6 0 80 278.308 6 ↓

Analogs

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Popular Name: 2-[(3Z)-3-hydroxyiminobenzofuran-6-yl]oxy-N-isopentyl-acetamide 2-[(3Z)-3-hydroxyiminobenzofuran…

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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) 2.19 3.13 -14.75 2 6 0 80 292.335 6 ↓

Analogs

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Popular Name: N-cyclopropyl-2-[(3Z)-3-hydroxyiminobenzofuran-6-yl]oxy-N-methyl-acetamide N-cyclopropyl-2-[(3Z)-3-hydroxyi…

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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) 1.15 3.7 -15.66 1 6 0 71 276.292 4 ↓

Analogs

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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) 2.25 2.32 -11.04 1 5 0 60 291.225 6 ↓

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) 2.97 3.94 -7.85 1 5 0 60 279.336 7 ↓

Analogs

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Popular Name: (2S)-2-[(3Z)-3-hydroxyiminobenzofuran-6-yl]oxybutanenitrile (2S)-2-[(3Z)-3-hydroxyiminobenzo…

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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) 2.08 2.74 -9.03 1 5 0 75 232.239 3 ↓

Analogs

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Popular Name: (2R)-2-[(3Z)-3-hydroxyiminobenzofuran-6-yl]oxybutanenitrile (2R)-2-[(3Z)-3-hydroxyiminobenzo…

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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) 2.08 2.74 -9.07 1 5 0 75 232.239 3 ↓

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) 3.66 4.38 -7.45 1 4 0 51 340.198 3 ↓

Analogs

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Popular Name: 6-[[(3R)-tetrahydrofuran-3-yl]methoxy]benzofuran-3-one 6-[[(3R)-tetrahydrofuran-3-yl]me…

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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 1.79 -7.55 1 5 0 60 249.266 3 ↓

Analogs

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Popular Name: 6-[[(3S)-tetrahydrofuran-3-yl]methoxy]benzofuran-3-one 6-[[(3S)-tetrahydrofuran-3-yl]me…

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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 1.81 -7.94 1 5 0 60 249.266 3 ↓

Analogs

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Popular Name: 6-ethoxybenzofuran-3-one 6-ethoxybenzofuran-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) 1.80 1.62 -6.04 1 4 0 51 193.202 2 ↓

Analogs

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Popular Name: 6-(4-hydroxybutoxy)benzofuran-3-one 6-(4-hydroxybutoxy)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) 1.34 -0.14 -7.72 2 5 0 71 237.255 5 ↓

Analogs

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Popular Name: 5-[(3Z)-3-hydroxyiminobenzofuran-6-yl]oxypentanenitrile 5-[(3Z)-3-hydroxyiminobenzofuran…

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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) 1.66 3.72 -12.21 1 5 0 75 246.266 5 ↓

Analogs

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Popular Name: 6-(2-phenoxyethoxy)benzofuran-3-one 6-(2-phenoxyethoxy)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) 3.11 4.44 -9.79 1 5 0 60 285.299 5 ↓

Analogs

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Popular Name: 6-[(3,4-dichlorophenyl)methoxy]benzofuran-3-one 6-[(3,4-dichlorophenyl)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) 4.31 5.65 -8.52 1 4 0 51 324.163 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) 0.83 -0.8 -15.62 1 6 0 85 271.294 4 ↓

Analogs

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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) 3.28 4.89 -7.02 1 4 0 51 291.253 3 ↓

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) 3.94 6.12 -7.07 1 4 0 51 283.327 4 ↓

Analogs

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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) 3.66 4.33 -7.49 1 4 0 51 340.198 3 ↓

Parameters Provided:

ring.id = 168415
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 = 168415 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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