UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8991629
8991629
8991476
8991476
9530896
9530896

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Popular Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-8-cyclopropyl-4-methyl-7,9-dihydrofuro[2,3-f][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) 4.11 7.61 -8.74 0 6 0 61 470.319 2 ↓
Mid Mid (pH 6-8) 4.11 10.58 -42.59 1 6 1 62 471.327 2 ↓

Analogs

12442513
12442513
12442511
12442511
13655964
13655964

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Popular Name: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-8-cyclopropyl-4-methyl-7,9-dihydrofuro[2,3-f][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) 3.98 7.51 -8.88 0 6 0 61 425.868 2 ↓
Mid Mid (pH 6-8) 3.98 10.47 -42.65 1 6 1 62 426.876 2 ↓

Analogs

8991629
8991629
8991476
8991476
9530986
9530986

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Popular Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-8-cyclopropyl-7,9-dihydrofuro[2,3-f][1,3]benzoxa (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) 3.74 6.98 -8.85 0 6 0 61 456.292 2 ↓
Mid Mid (pH 6-8) 3.74 9.95 -42.87 1 6 1 62 457.3 2 ↓

Analogs

13655964
13655964
9050555
9050555

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-8-cyclopropyl-7,9-dihydrofuro[2,3-f][1,3]benzox (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) 3.61 6.88 -8.97 0 6 0 61 411.841 2 ↓
Mid Mid (pH 6-8) 3.61 9.85 -42.89 1 6 1 62 412.849 2 ↓

Parameters Provided:

ring.id = 561695
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 = 561695 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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