UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[[(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]-N-methyl-benzamide 3-[[(3S)-6-hydroxy-2,3-dihydrobe…

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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) 1.91 1.57 -16.07 3 5 0 71 284.315 3 ↓

Analogs

36890526
36890526
36979951
36979951
36979953
36979953
36996213
36996213
36996214
36996214

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Popular Name: 3-[[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]-N-methyl-benzamide 3-[[(3R)-6-hydroxy-2,3-dihydrobe…

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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) 1.91 1.56 -15.45 3 5 0 71 284.315 3 ↓

Analogs

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Popular Name: 3-[[(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]benzamide 3-[[(3S)-6-hydroxy-2,3-dihydrobe…

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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) 1.54 0.04 -15.44 4 5 0 85 270.288 3 ↓

Analogs

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Popular Name: 3-[[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]benzamide 3-[[(3R)-6-hydroxy-2,3-dihydrobe…

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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) 1.54 0.04 -16.04 4 5 0 85 270.288 3 ↓

Analogs

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Popular Name: 2-[4-[[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]phenoxy]acetonitrile 2-[4-[[(3R)-6-hydroxy-2,3-dihydr…

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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) 2.59 3.34 -13.34 2 5 0 75 282.299 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]phenoxy]acetonitrile 2-[4-[[(3S)-6-hydroxy-2,3-dihydr…

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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) 2.59 3.33 -13.36 2 5 0 75 282.299 4 ↓

Analogs

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Popular Name: (3S)-3-[(4-methylsulfonylphenyl)amino]-2,3-dihydrobenzofuran-6-ol (3S)-3-[(4-methylsulfonylphenyl)…

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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 0.86 -15.95 2 5 0 76 305.355 3 ↓

Analogs

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Popular Name: (3R)-3-[(4-methylsulfonylphenyl)amino]-2,3-dihydrobenzofuran-6-ol (3R)-3-[(4-methylsulfonylphenyl)…

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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 0.86 -16.09 2 5 0 76 305.355 3 ↓

Analogs

37781161
37781161
37781162
37781162

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Popular Name: (3R)-3-[(2,3-dichlorophenyl)amino]-2,3-dihydrobenzofuran-6-ol (3R)-3-[(2,3-dichlorophenyl)amin…

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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) 4.00 4.38 -8.01 2 3 0 41 296.153 2 ↓

Analogs

37781161
37781161
37781162
37781162

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Popular Name: (3S)-3-[(2,3-dichlorophenyl)amino]-2,3-dihydrobenzofuran-6-ol (3S)-3-[(2,3-dichlorophenyl)amin…

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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) 4.00 4.38 -8.64 2 3 0 41 296.153 2 ↓

Analogs

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Popular Name: 2-fluoro-6-[[(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]benzonitrile 2-fluoro-6-[[(3S)-6-hydroxy-2,3-…

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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) 2.57 3.81 -12.59 2 4 0 65 270.263 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-6-[[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]benzonitrile 2-fluoro-6-[[(3R)-6-hydroxy-2,3-…

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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) 2.57 3.81 -11.58 2 4 0 65 270.263 2 ↓

Analogs

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Popular Name: (3S)-3-[4-(dimethylamino)anilino]-2,3-dihydrobenzofuran-6-ol (3S)-3-[4-(dimethylamino)anilino…

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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) 2.85 3.78 -6.42 2 4 0 45 270.332 3 ↓

Analogs

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Popular Name: (3R)-3-[4-(dimethylamino)anilino]-2,3-dihydrobenzofuran-6-ol (3R)-3-[4-(dimethylamino)anilino…

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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) 2.85 3.78 -6.3 2 4 0 45 270.332 3 ↓

Analogs

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Popular Name: (3R)-3-(4-fluoro-2-nitro-anilino)-2,3-dihydrobenzofuran-6-ol (3R)-3-(4-fluoro-2-nitro-anilino…

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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) 2.79 4.39 -12.4 2 6 0 87 290.25 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-fluoro-2-nitro-anilino)-2,3-dihydrobenzofuran-6-ol (3S)-3-(4-fluoro-2-nitro-anilino…

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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) 2.79 4.4 -10.15 2 6 0 87 290.25 3 ↓

Analogs

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Popular Name: (3R)-3-(5-chloro-2-nitro-anilino)-2,3-dihydrobenzofuran-6-ol (3R)-3-(5-chloro-2-nitro-anilino…

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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) 3.31 4.83 -9.59 2 6 0 87 306.705 3 ↓

Analogs

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Popular Name: (3S)-3-(5-chloro-2-nitro-anilino)-2,3-dihydrobenzofuran-6-ol (3S)-3-(5-chloro-2-nitro-anilino…

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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) 3.31 4.84 -7.78 2 6 0 87 306.705 3 ↓

Analogs

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Popular Name: (3S)-3-(2-chloro-4-nitro-anilino)-2,3-dihydrobenzofuran-6-ol (3S)-3-(2-chloro-4-nitro-anilino…

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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) 3.31 4.66 -10.75 2 6 0 87 306.705 3 ↓

Analogs

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Popular Name: (3R)-3-(2-chloro-4-nitro-anilino)-2,3-dihydrobenzofuran-6-ol (3R)-3-(2-chloro-4-nitro-anilino…

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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) 3.31 4.66 -10.17 2 6 0 87 306.705 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-chloro-2-nitro-anilino)-2,3-dihydrobenzofuran-6-ol (3R)-3-(4-chloro-2-nitro-anilino…

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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) 3.31 4.84 -11.71 2 6 0 87 306.705 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-chloro-2-nitro-anilino)-2,3-dihydrobenzofuran-6-ol (3S)-3-(4-chloro-2-nitro-anilino…

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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) 3.31 4.85 -9.53 2 6 0 87 306.705 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[[(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]benzonitrile 2-chloro-5-[[(3S)-6-hydroxy-2,3-…

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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) 3.11 4.18 -10.38 2 4 0 65 286.718 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]benzonitrile 2-chloro-5-[[(3R)-6-hydroxy-2,3-…

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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) 3.11 4.18 -10.16 2 4 0 65 286.718 2 ↓

Analogs

19879572
19879572

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Popular Name: (3S)-3-(2-propylanilino)-2,3-dihydrobenzofuran-6-ol (3S)-3-(2-propylanilino)-2,3-dih…

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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) 4.00 5.69 -5.27 2 3 0 41 269.344 4 ↓

Analogs

19879572
19879572

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Popular Name: (3R)-3-(2-propylanilino)-2,3-dihydrobenzofuran-6-ol (3R)-3-(2-propylanilino)-2,3-dih…

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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) 4.00 5.69 -5.09 2 3 0 41 269.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[[(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]phenoxy]acetonitrile 2-[3-[[(3S)-6-hydroxy-2,3-dihydr…

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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) 2.56 3.39 -12.14 2 5 0 75 282.299 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]phenoxy]acetonitrile 2-[3-[[(3R)-6-hydroxy-2,3-dihydr…

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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) 2.56 3.38 -11.76 2 5 0 75 282.299 4 ↓

Analogs

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Popular Name: (3S)-3-(4-chloro-3-fluoro-anilino)-2,3-dihydrobenzofuran-6-ol (3S)-3-(4-chloro-3-fluoro-anilin…

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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) 3.51 3.94 -6.99 2 3 0 41 279.698 2 ↓

Analogs

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Popular Name: (3R)-3-(4-chloro-3-fluoro-anilino)-2,3-dihydrobenzofuran-6-ol (3R)-3-(4-chloro-3-fluoro-anilin…

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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) 3.51 3.94 -7.27 2 3 0 41 279.698 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]phenyl]acetonitrile 2-[4-[[(3S)-6-hydroxy-2,3-dihydr…

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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) 2.71 4.55 -11.02 2 4 0 65 266.3 3 ↓

Analogs

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Popular Name: 2-[4-[[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]phenyl]acetonitrile 2-[4-[[(3R)-6-hydroxy-2,3-dihydr…

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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) 2.71 4.55 -11.13 2 4 0 65 266.3 3 ↓

Analogs

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Popular Name: 3-bromo-4-[[(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]benzonitrile 3-bromo-4-[[(3S)-6-hydroxy-2,3-d…

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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) 3.24 4.48 -9.81 2 4 0 65 331.169 2 ↓

Analogs

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Popular Name: 3-bromo-4-[[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]benzonitrile 3-bromo-4-[[(3R)-6-hydroxy-2,3-d…

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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) 3.24 4.48 -9.21 2 4 0 65 331.169 2 ↓

Analogs

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Popular Name: 2-[4-[[(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]phenyl]acetamide 2-[4-[[(3S)-6-hydroxy-2,3-dihydr…

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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 0.85 -12.37 4 5 0 85 284.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]phenyl]acetamide 2-[4-[[(3R)-6-hydroxy-2,3-dihydr…

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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 0.85 -12.43 4 5 0 85 284.315 4 ↓

Analogs

19987522
19987522

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Popular Name: (3S)-3-(2-methylsulfonylanilino)-2,3-dihydrobenzofuran-6-ol (3S)-3-(2-methylsulfonylanilino)…

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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 1.36 -13.56 2 5 0 76 305.355 3 ↓

Analogs

19987522
19987522

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Popular Name: (3R)-3-(2-methylsulfonylanilino)-2,3-dihydrobenzofuran-6-ol (3R)-3-(2-methylsulfonylanilino)…

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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 1.36 -14.72 2 5 0 76 305.355 3 ↓

Analogs

19879572
19879572

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Popular Name: (3S)-3-[2-(dimethylamino)anilino]-2,3-dihydrobenzofuran-6-ol (3S)-3-[2-(dimethylamino)anilino…

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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) 2.80 4.67 -5.75 2 4 0 45 270.332 3 ↓

Analogs

19879572
19879572

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Popular Name: (3R)-3-[2-(dimethylamino)anilino]-2,3-dihydrobenzofuran-6-ol (3R)-3-[2-(dimethylamino)anilino…

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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) 2.80 4.67 -5.34 2 4 0 45 270.332 3 ↓

Analogs

20124700
20124700
19952988
19952988

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]-4-methyl-benzoic 3-[[(3S)-6-hydroxy-2,3-dihydrobe…

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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 4.71 -51.99 2 5 -1 82 284.291 3 ↓

Analogs

20124700
20124700
19952988
19952988

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Popular Name: 3-[[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]-4-methyl-benzoic 3-[[(3R)-6-hydroxy-2,3-dihydrobe…

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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 4.71 -53.38 2 5 -1 82 284.291 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-5-[[(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]benzoic 2-fluoro-5-[[(3S)-6-hydroxy-2,3-…

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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) 2.41 3.96 -56.2 2 5 -1 82 288.254 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-5-[[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]benzoic 2-fluoro-5-[[(3R)-6-hydroxy-2,3-…

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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) 2.41 3.96 -54.89 2 5 -1 82 288.254 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-3-[[(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]benzoic 4-fluoro-3-[[(3S)-6-hydroxy-2,3-…

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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) 2.75 4.03 -45.31 2 5 -1 82 288.254 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-3-[[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]benzoic 4-fluoro-3-[[(3R)-6-hydroxy-2,3-…

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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) 2.75 4.03 -45.96 2 5 -1 82 288.254 3 ↓

Analogs

19961382
19961382
19918348
19918348

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-5-[[(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]-4-methyl-benzonitrile 3-fluoro-5-[[(3S)-6-hydroxy-2,3-…

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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) 2.97 4.58 -8.16 2 4 0 65 284.29 2 ↓

Analogs

19961382
19961382
19918348
19918348

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-5-[[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]-4-methyl-benzonitrile 3-fluoro-5-[[(3R)-6-hydroxy-2,3-…

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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) 2.97 4.58 -8.31 2 4 0 65 284.29 2 ↓

Analogs

19923242
19923242
19923244
19923244

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(5-bromo-2-methyl-anilino)-2,3-dihydrobenzofuran-6-ol (3S)-3-(5-bromo-2-methyl-anilino…

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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) 3.93 4.78 -5.5 2 3 0 41 320.186 2 ↓

Analogs

19923242
19923242
19923244
19923244

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(5-bromo-2-methyl-anilino)-2,3-dihydrobenzofuran-6-ol (3R)-3-(5-bromo-2-methyl-anilino…

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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) 3.93 4.78 -5.6 2 3 0 41 320.186 2 ↓

Parameters Provided:

ring.id = 24315
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 = 24315 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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