UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (NZ)-N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)benzenesulfonamide (NZ)-N-(2,3-diphenyl-1,2,4-thiad…

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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) 5.61 10.29 -17.9 0 5 0 64 393.493 4 ↓
Mid Mid (pH 6-8) 5.61 10.76 -28.91 1 5 1 66 394.501 4 ↓

Analogs

11617213
11617213

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Popular Name: (NZ)-N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-4-methyl-benzenesulfonamide (NZ)-N-(2,3-diphenyl-1,2,4-thiad…

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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) 6.06 11.44 -28.65 1 5 1 66 408.528 4 ↓
Mid Mid (pH 6-8) 6.06 10.93 -17.56 0 5 0 64 407.52 4 ↓

Analogs

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Popular Name: (NZ)-4-bromo-N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)benzenesulfonamide (NZ)-4-bromo-N-(2,3-diphenyl-1,2…

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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) 6.42 10.91 -14.72 0 5 0 64 472.389 4 ↓
Mid Mid (pH 6-8) 6.42 11.38 -28.76 1 5 1 66 473.397 4 ↓

Parameters Provided:

ring.id = 171577
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 = 171577 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=171577&filter.purchasability=annotated

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