UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9530896
9530896
9530986
9530986
9053576
9053576

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Popular Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-8-cyclopentyl-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) 5.15 9.02 -8.62 0 6 0 61 498.373 2 ↓
Mid Mid (pH 6-8) 5.15 11.78 -43.98 1 6 1 62 499.381 2 ↓

Analogs

8990746
8990746
8990745
8990745

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Popular Name: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-8-cyclopentyl-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) 5.02 8.92 -8.61 0 6 0 61 453.922 2 ↓
Mid Mid (pH 6-8) 5.02 11.68 -44.06 1 6 1 62 454.93 2 ↓

Analogs

9530986
9530986
9053573
9053573

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Popular Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-8-cyclopentyl-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) 4.77 8.14 -8.41 0 6 0 61 484.346 2 ↓
Mid Mid (pH 6-8) 4.77 11.12 -44.2 1 6 1 62 485.354 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-8-cyclopentyl-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) 4.64 8.04 -8.44 0 6 0 61 439.895 2 ↓
Mid Mid (pH 6-8) 4.64 11.02 -44.26 1 6 1 62 440.903 2 ↓

Parameters Provided:

ring.id = 561700
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 = 561700 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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