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Popular Name: (1R)-1-[(3S,4R)-7-methoxy-4-[(E)-styryl]isochroman-3-yl]ethane-1,2-diol (1R)-1-[(3S,4R)-7-methoxy-4-[(E)…

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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) 2.77 3.87 -9.32 2 4 0 59 326.392 5 ↓

Analogs

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Popular Name: (1R)-1-[(3R,4R)-7-methoxy-4-[(E)-styryl]isochroman-3-yl]ethane-1,2-diol (1R)-1-[(3R,4R)-7-methoxy-4-[(E)…

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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) 2.77 4.32 -7.87 2 4 0 59 326.392 5 ↓

Analogs

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Popular Name: (1R)-1-[(3R,4S)-7-methoxy-4-[(E)-styryl]isochroman-3-yl]ethane-1,2-diol (1R)-1-[(3R,4S)-7-methoxy-4-[(E)…

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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) 2.77 4.69 -7.78 2 4 0 59 326.392 5 ↓

Analogs

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Popular Name: (1S)-2-methoxy-1-[(3S,4R)-4-[(E)-styryl]isochroman-3-yl]ethanol (1S)-2-methoxy-1-[(3S,4R)-4-[(E)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.35 7.78 -5.87 1 3 0 39 310.393 5 ↓

Analogs

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Popular Name: (1S)-2-methoxy-1-[(3R,4R)-4-[(E)-styryl]isochroman-3-yl]ethanol (1S)-2-methoxy-1-[(3R,4R)-4-[(E)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.35 7.18 -6.47 1 3 0 39 310.393 5 ↓

Analogs

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Popular Name: (1R)-2-methoxy-1-[(3R,4R)-4-[(E)-styryl]isochroman-3-yl]ethanol (1R)-2-methoxy-1-[(3R,4R)-4-[(E)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.35 7.42 -6.09 1 3 0 39 310.393 5 ↓

Analogs

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Popular Name: (1R)-2-azido-1-[(3R,4S)-5-methoxy-4-[(E)-styryl]isochroman-3-yl]ethanol (1R)-2-azido-1-[(3R,4S)-5-methox…

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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) 4.08 4.41 -7.35 1 6 0 88 351.406 6 ↓

Analogs

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Popular Name: (1R)-2-azido-1-[(3R,4R)-5-methoxy-4-[(E)-styryl]isochroman-3-yl]ethanol (1R)-2-azido-1-[(3R,4R)-5-methox…

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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) 4.08 4.2 -6.87 1 6 0 88 351.406 6 ↓

Analogs

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Popular Name: (1R)-2-azido-1-[(3S,4R)-5-methoxy-4-[(E)-styryl]isochroman-3-yl]ethanol (1R)-2-azido-1-[(3S,4R)-5-methox…

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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) 4.08 3.66 -8.83 1 6 0 88 351.406 6 ↓

Analogs

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Popular Name: [(1S)-2-methoxy-1-[(3S,4R)-4-[(E)-styryl]isochroman-3-yl]ethyl] [(1S)-2-methoxy-1-[(3S,4R)-4-[(E…

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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) 4.06 11.51 -12 0 4 0 45 352.43 7 ↓

Analogs

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Popular Name: [(1S)-2-methoxy-1-[(3R,4R)-4-[(E)-styryl]isochroman-3-yl]ethyl] [(1S)-2-methoxy-1-[(3R,4R)-4-[(E…

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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) 4.06 11 -9.4 0 4 0 45 352.43 7 ↓

Analogs

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Popular Name: [(1R)-2-methoxy-1-[(3R,4R)-4-[(E)-styryl]isochroman-3-yl]ethyl] [(1R)-2-methoxy-1-[(3R,4R)-4-[(E…

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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) 4.06 11.77 -9.66 0 4 0 45 352.43 7 ↓

Analogs

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Popular Name: (1S)-2-methoxy-1-[(3S,4R)-7-methoxy-4-[(E)-styryl]isochroman-3-yl]ethanol (1S)-2-methoxy-1-[(3S,4R)-7-meth…

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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) 3.38 7.08 -6.98 1 4 0 48 340.419 6 ↓

Analogs

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Popular Name: (1R)-2-methoxy-1-[(3S,4R)-7-methoxy-4-[(E)-styryl]isochroman-3-yl]ethanol (1R)-2-methoxy-1-[(3S,4R)-7-meth…

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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) 3.38 6.24 -8.38 1 4 0 48 340.419 6 ↓

Analogs

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Popular Name: (1S)-2-methoxy-1-[(3R,4R)-7-methoxy-4-[(E)-styryl]isochroman-3-yl]ethanol (1S)-2-methoxy-1-[(3R,4R)-7-meth…

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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) 3.38 6.47 -7.37 1 4 0 48 340.419 6 ↓

Analogs

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Popular Name: (1R)-2-methoxy-1-[(3R,4R)-7-methoxy-4-[(E)-styryl]isochroman-3-yl]ethanol (1R)-2-methoxy-1-[(3R,4R)-7-meth…

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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) 3.38 6.72 -6.93 1 4 0 48 340.419 6 ↓

Analogs

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Popular Name: (1R)-1-[(3R,4S)-5,7-dimethoxy-4-[(E)-styryl]isochroman-3-yl]ethane-1,2-diol (1R)-1-[(3R,4S)-5,7-dimethoxy-4-…

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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 4.09 -9.1 2 5 0 68 356.418 6 ↓

Analogs

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Popular Name: (1R)-1-[(3R,4R)-5,7-dimethoxy-4-[(E)-styryl]isochroman-3-yl]ethane-1,2-diol (1R)-1-[(3R,4R)-5,7-dimethoxy-4-…

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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 3.9 -9.07 2 5 0 68 356.418 6 ↓

Analogs

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Popular Name: (1R)-1-[(3S,4R)-5,7-dimethoxy-4-[(E)-styryl]isochroman-3-yl]ethane-1,2-diol (1R)-1-[(3S,4R)-5,7-dimethoxy-4-…

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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 3.26 -10.64 2 5 0 68 356.418 6 ↓

Parameters Provided:

ring.id = 473707
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 = 473707 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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