UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(8-chloro-2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-9-yl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2- N-(8-chloro-2,5-dioxabicyclo[4.4…

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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) 3.30 -3.11 -15.77 1 6 0 65 451.982 5 ↓

Analogs

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Popular Name: N-(8-bromo-2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-9-yl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-y N-(8-bromo-2,5-dioxabicyclo[4.4.…

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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) 3.43 -3.66 -15.6 1 6 0 65 496.433 5 ↓

Analogs

20896002
20896002
16766624
16766624
16766626
16766626

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Popular Name: (2R)-2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin- (2R)-2-[[4-(4-chlorophenyl)-5-th…

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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 8.97 -19 1 6 0 65 466.009 5 ↓

Analogs

16766624
16766624
16766626
16766626
20895999
20895999

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Popular Name: (2S)-2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin- (2S)-2-[[4-(4-chlorophenyl)-5-th…

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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 8.95 -16.79 1 6 0 65 466.009 5 ↓

Parameters Provided:

ring.id = 73565
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 = 73565 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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