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Popular Name: (8S)-6-(4-methoxy-2-methyl-phenyl)-8-phenyl-N-[(1S)-1-phenylethyl]-1,3,4,7,8,10-hexahydropyrano[4,3- (8S)-6-(4-methoxy-2-methyl-pheny…

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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) 6.87 14.72 -13.77 1 6 0 64 533.672 5 ↓
Mid Mid (pH 6-8) 6.87 14.8 -38.97 2 6 1 65 534.68 5 ↓

Analogs

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Popular Name: (8S)-6-(4-methoxy-2-methyl-phenyl)-8-phenyl-N-[(1R)-1-phenylethyl]-1,3,4,7,8,10-hexahydropyrano[4,3- (8S)-6-(4-methoxy-2-methyl-pheny…

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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) 6.87 14.72 -13.44 1 6 0 64 533.672 5 ↓
Mid Mid (pH 6-8) 6.87 14.79 -39.48 2 6 1 65 534.68 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-6-(4-methoxy-2-methyl-phenyl)-8-phenyl-N-[(1R)-1-phenylethyl]-1,3,4,7,8,10-hexahydropyrano[4,3- (8R)-6-(4-methoxy-2-methyl-pheny…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.87 14.95 -13.51 1 6 0 64 533.672 5 ↓
Mid Mid (pH 6-8) 6.87 15.16 -39.11 2 6 1 65 534.68 5 ↓

Parameters Provided:

ring.id = 476984
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 = 476984 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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