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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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Popular Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-4-methyl-7-[[4-(2-pyridyl)piperazin-1- (2Z)-2-[(6-bromo-4H-1,3-benzodio…

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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) 4.52 9.47 -34.85 2 8 1 90 565.444 4 ↓
Hi High (pH 8-9.5) 4.52 9.85 -45.23 0 8 -1 91 563.428 4 ↓
Mid Mid (pH 6-8) 4.52 10.24 -51.81 1 8 0 92 564.436 4 ↓

Analogs

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

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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) 4.39 9.37 -35.02 2 8 1 90 520.993 4 ↓
Hi High (pH 8-9.5) 4.39 9.75 -45.51 0 8 -1 91 518.977 4 ↓
Mid Mid (pH 6-8) 4.39 10.13 -52.03 1 8 0 92 519.985 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-7-[[4-(2-pyridyl)piperazin-1-yl]methy (2Z)-2-[(6-chloro-4H-1,3-benzodi…

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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) 4.01 8.98 -38.71 2 8 1 90 506.966 4 ↓
Hi High (pH 8-9.5) 4.01 9.24 -43.95 0 8 -1 91 504.95 4 ↓
Mid Mid (pH 6-8) 4.01 11.23 -107.15 3 8 2 91 507.974 4 ↓

Parameters Provided:

ring.id = 550350
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 = 550350 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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