UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[[(3-methoxy-4-methylsulfanyl-phenyl)methyl-methyl-amino]methyl]thiazolidin-2-one 3-[[(3-methoxy-4-methylsulfanyl-…

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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) 2.43 5.36 -12.31 0 4 0 33 312.46 6 ↓
Lo Low (pH 4.5-6) 2.43 7.97 -50.45 1 4 1 34 313.468 6 ↓

Analogs

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Popular Name: N-methyl-4-[[methyl-[(2-oxothiazolidin-3-yl)methyl]amino]methyl]benzamide N-methyl-4-[[methyl-[(2-oxothiaz…

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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) 1.20 3.22 -18.89 1 5 0 53 293.392 5 ↓
Lo Low (pH 4.5-6) 1.20 5.67 -59.84 2 5 1 54 294.4 5 ↓

Parameters Provided:

ring.id = 167438
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 = 167438 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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