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Analogs

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Popular Name: (2R)-2-chloro-8-[(2R)-2-chloro-4H-1,3,2-benzodioxaphosphinin-8-yl]-4H-1,3,2-benzodioxaphosphinine (2R)-2-chloro-8-[(2R)-2-chloro-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) 3.18 8.92 -15.7 0 4 0 37 375.084 1 ↓

Analogs

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Popular Name: (2R)-2-chloro-8-[(2S)-2-chloro-4H-1,3,2-benzodioxaphosphinin-8-yl]-4H-1,3,2-benzodioxaphosphinine (2R)-2-chloro-8-[(2S)-2-chloro-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) 3.18 8.89 -12.97 0 4 0 37 375.084 1 ↓

Analogs

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Popular Name: (2S)-2-chloro-8-[(2S)-2-chloro-4H-1,3,2-benzodioxaphosphinin-8-yl]-4H-1,3,2-benzodioxaphosphinine (2S)-2-chloro-8-[(2S)-2-chloro-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) 3.18 8.82 -11.63 0 4 0 37 375.084 1 ↓

Analogs

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Popular Name: (2R)-2-chloro-8-[(2R)-2-chloro-6-methyl-4H-1,3,2-benzodioxaphosphinin-8-yl]-6-methyl-4H-1,3,2-benzod (2R)-2-chloro-8-[(2R)-2-chloro-6…

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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) 3.98 10.26 -14.89 0 4 0 37 403.138 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-8-[(2S)-2-chloro-6-methyl-4H-1,3,2-benzodioxaphosphinin-8-yl]-6-methyl-4H-1,3,2-benzod (2R)-2-chloro-8-[(2S)-2-chloro-6…

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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) 3.98 10.22 -12.36 0 4 0 37 403.138 1 ↓

Analogs

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Popular Name: (2S)-2-chloro-8-[(2S)-2-chloro-6-methyl-4H-1,3,2-benzodioxaphosphinin-8-yl]-6-methyl-4H-1,3,2-benzod (2S)-2-chloro-8-[(2S)-2-chloro-6…

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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) 3.98 10.15 -11.09 0 4 0 37 403.138 1 ↓

Analogs

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Popular Name: (2R)-2-chloro-8-(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)-4H-1,3,2-benzodioxaphosphinine (2R)-2-chloro-8-(2,2-dimethyl-4H…

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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) 4.03 9.14 -12.65 0 4 0 37 350.738 1 ↓

Analogs

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Popular Name: (2S)-2-chloro-8-(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)-4H-1,3,2-benzodioxaphosphinine (2S)-2-chloro-8-(2,2-dimethyl-4H…

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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) 4.03 9.06 -11.64 0 4 0 37 350.738 1 ↓

Parameters Provided:

ring.id = 197841
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 = 197841 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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