UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5254464
5254464
5405613
5405613
4463241
4463241
5182022
5182022
5128469
5128469

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Popular Name: (9-chloro-3,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-7-yl)methyl (9-chloro-3,5-dioxabicyclo[4.4.0…

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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) 4.92 1.83 -8.48 0 4 0 44 332.783 4 ↓

Analogs

6384638
6384638

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Popular Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (6-chloro-4H-1,3-benzodioxin-8-y…

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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) 3.77 5.54 -14.09 1 7 0 91 432.281 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9-nitro-3,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-7-yl)methyl (9-nitro-3,5-dioxabicyclo[4.4.0]…

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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) 2.82 -3.62 -15.04 1 10 0 137 422.415 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (6-nitro-4H-1,3-benzodioxin-8-yl…

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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 11.48 -11.82 0 9 0 109 431.441 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (6-chloro-4H-1,3-benzodioxin-8-y…

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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) 2.92 5.52 -15.82 2 6 0 88 347.754 5 ↓

Analogs

3510076
3510076
3519752
3519752
3523824
3523824

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Popular Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (6-nitro-4H-1,3-benzodioxin-8-yl…

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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) 3.33 8.66 -11.06 0 8 0 100 359.334 7 ↓

Parameters Provided:

ring.id = 2276
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 = 2276 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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