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Analogs

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Popular Name: (R)-1,3-dihydroisobenzofuran-5-yl-(5-fluoro-2-methyl-phenyl)methanamine (R)-1,3-dihydroisobenzofuran-5-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) 3.15 6 -51.63 3 2 1 37 258.316 2 ↓
Mid Mid (pH 6-8) 3.15 5.66 -5.65 2 2 0 35 257.308 2 ↓

Analogs

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Popular Name: (S)-1,3-dihydroisobenzofuran-5-yl-(5-fluoro-2-methyl-phenyl)methanamine (S)-1,3-dihydroisobenzofuran-5-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) 3.15 6.02 -52.24 3 2 1 37 258.316 2 ↓
Mid Mid (pH 6-8) 3.15 5.7 -5.62 2 2 0 35 257.308 2 ↓

Analogs

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Popular Name: (1R)-1-(1,3-dihydroisobenzofuran-5-yl)-1-(5-fluoro-2-methyl-phenyl)-N-methyl-methanamine (1R)-1-(1,3-dihydroisobenzofuran…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.53 7.69 -45.07 2 2 1 26 272.343 3 ↓
Mid Mid (pH 6-8) 3.53 6.88 -5 1 2 0 21 271.335 3 ↓

Analogs

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Popular Name: (1S)-1-(1,3-dihydroisobenzofuran-5-yl)-1-(5-fluoro-2-methyl-phenyl)-N-methyl-methanamine (1S)-1-(1,3-dihydroisobenzofuran…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.53 7.86 -45.49 2 2 1 26 272.343 3 ↓
Mid Mid (pH 6-8) 3.53 6.94 -4.98 1 2 0 21 271.335 3 ↓

Analogs

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Popular Name: N-[(S)-1,3-dihydroisobenzofuran-5-yl-(5-fluoro-2-methyl-phenyl)methyl]ethanamine N-[(S)-1,3-dihydroisobenzofuran-…

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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) 3.90 8.69 -43.42 2 2 1 26 286.37 4 ↓
Hi High (pH 8-9.5) 3.90 7.98 -4.79 1 2 0 21 285.362 4 ↓

Analogs

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Popular Name: N-[(R)-1,3-dihydroisobenzofuran-5-yl-(5-fluoro-2-methyl-phenyl)methyl]ethanamine N-[(R)-1,3-dihydroisobenzofuran-…

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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) 3.90 8.54 -42.91 2 2 1 26 286.37 4 ↓
Hi High (pH 8-9.5) 3.90 7.71 -4.68 1 2 0 21 285.362 4 ↓

Analogs

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Popular Name: (R)-1,3-dihydroisobenzofuran-5-yl-(5-fluoro-2-methyl-phenyl)methanol (R)-1,3-dihydroisobenzofuran-5-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) 3.11 5.65 -6.53 1 2 0 29 258.292 2 ↓

Analogs

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Popular Name: (S)-1,3-dihydroisobenzofuran-5-yl-(5-fluoro-2-methyl-phenyl)methanol (S)-1,3-dihydroisobenzofuran-5-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) 3.11 5.74 -6.67 1 2 0 29 258.292 2 ↓

Analogs

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Popular Name: 5-[(R)-chloro-(5-fluoro-2-methyl-phenyl)methyl]-1,3-dihydroisobenzofuran 5-[(R)-chloro-(5-fluoro-2-methyl…

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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) 4.35 9.01 -5.84 0 1 0 9 276.738 2 ↓

Analogs

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Popular Name: 5-[(S)-chloro-(5-fluoro-2-methyl-phenyl)methyl]-1,3-dihydroisobenzofuran 5-[(S)-chloro-(5-fluoro-2-methyl…

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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) 4.35 9.16 -5.98 0 1 0 9 276.738 2 ↓

Analogs

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Popular Name: 5-[(R)-bromo-(5-fluoro-2-methyl-phenyl)methyl]-1,3-dihydroisobenzofuran 5-[(R)-bromo-(5-fluoro-2-methyl-…

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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) 4.48 9.09 -5.65 0 1 0 9 321.189 2 ↓

Analogs

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Popular Name: 5-[(S)-bromo-(5-fluoro-2-methyl-phenyl)methyl]-1,3-dihydroisobenzofuran 5-[(S)-bromo-(5-fluoro-2-methyl-…

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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) 4.48 9.24 -5.76 0 1 0 9 321.189 2 ↓

Analogs

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Popular Name: (S)-1,3-dihydroisobenzofuran-5-yl-(3,4,5-trifluorophenyl)methanamine (S)-1,3-dihydroisobenzofuran-5-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) 2.96 5.72 -64.48 3 2 1 37 280.269 2 ↓
Mid Mid (pH 6-8) 2.96 5.39 -8.02 2 2 0 35 279.261 2 ↓

Analogs

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Popular Name: (R)-1,3-dihydroisobenzofuran-5-yl-(3,4,5-trifluorophenyl)methanamine (R)-1,3-dihydroisobenzofuran-5-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) 2.96 5.72 -64.85 3 2 1 37 280.269 2 ↓
Mid Mid (pH 6-8) 2.96 5.39 -7.9 2 2 0 35 279.261 2 ↓

Analogs

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Popular Name: (1S)-1-(1,3-dihydroisobenzofuran-5-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine (1S)-1-(1,3-dihydroisobenzofuran…

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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) 3.34 7.51 -56.87 2 2 1 26 294.296 3 ↓
Mid Mid (pH 6-8) 3.34 6.54 -6.51 1 2 0 21 293.288 3 ↓

Analogs

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Popular Name: (1R)-1-(1,3-dihydroisobenzofuran-5-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine (1R)-1-(1,3-dihydroisobenzofuran…

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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) 3.34 7.51 -57.16 2 2 1 26 294.296 3 ↓
Mid Mid (pH 6-8) 3.34 6.5 -6.72 1 2 0 21 293.288 3 ↓

Analogs

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Popular Name: (S)-1,3-dihydroisobenzofuran-5-yl-(3,4,5-trifluorophenyl)methanol (S)-1,3-dihydroisobenzofuran-5-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) 2.92 5.43 -9.05 1 2 0 29 280.245 2 ↓

Analogs

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Popular Name: (R)-1,3-dihydroisobenzofuran-5-yl-(3,4,5-trifluorophenyl)methanol (R)-1,3-dihydroisobenzofuran-5-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) 2.92 5.44 -9.2 1 2 0 29 280.245 2 ↓

Analogs

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Popular Name: 5-[(S)-chloro-(3,4,5-trifluorophenyl)methyl]-1,3-dihydroisobenzofuran 5-[(S)-chloro-(3,4,5-trifluoroph…

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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) 4.16 8.61 -7.19 0 1 0 9 298.691 2 ↓

Analogs

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Popular Name: 5-[(R)-chloro-(3,4,5-trifluorophenyl)methyl]-1,3-dihydroisobenzofuran 5-[(R)-chloro-(3,4,5-trifluoroph…

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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) 4.16 8.61 -7.25 0 1 0 9 298.691 2 ↓

Analogs

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Popular Name: 5-[(S)-bromo-(3,4,5-trifluorophenyl)methyl]-1,3-dihydroisobenzofuran 5-[(S)-bromo-(3,4,5-trifluorophe…

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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) 4.29 8.68 -6.95 0 1 0 9 343.142 2 ↓

Analogs

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Popular Name: 5-[(R)-bromo-(3,4,5-trifluorophenyl)methyl]-1,3-dihydroisobenzofuran 5-[(R)-bromo-(3,4,5-trifluorophe…

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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) 4.29 8.68 -7.44 0 1 0 9 343.142 2 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 267392 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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