UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41584461
41584461
41510686
41510686

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Popular Name: (2Z)-7-[[benzyl(methyl)amino]methyl]-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-4-meth (2Z)-7-[[benzyl(methyl)amino]met…

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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) 5.23 11.49 -45.92 2 6 1 73 523.403 5 ↓
Hi High (pH 8-9.5) 5.23 9.93 -45.04 0 6 -1 75 521.387 5 ↓
Mid Mid (pH 6-8) 5.23 12.25 -29.13 1 6 0 76 522.395 5 ↓

Analogs

41584462
41584462
41510690
41510690

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Popular Name: (2Z)-7-[[benzyl(methyl)amino]methyl]-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-4-met (2Z)-7-[[benzyl(methyl)amino]met…

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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) 5.10 11.38 -46.33 2 6 1 73 478.952 5 ↓
Hi High (pH 8-9.5) 5.10 9.82 -45.17 0 6 -1 75 476.936 5 ↓
Mid Mid (pH 6-8) 5.10 9.06 -9.93 1 6 0 72 477.944 5 ↓

Analogs

8991476
8991476
9050525
9050525

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Popular Name: (2Z)-7-[[benzyl(methyl)amino]methyl]-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-benzof (2Z)-7-[[benzyl(methyl)amino]met…

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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) 4.85 11.26 -45.84 2 6 1 73 509.376 5 ↓
Hi High (pH 8-9.5) 4.85 9.46 -42.31 0 6 -1 75 507.36 5 ↓
Mid Mid (pH 6-8) 4.85 8.9 -10.33 1 6 0 72 508.368 5 ↓

Parameters Provided:

ring.id = 538374
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 = 538374 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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