UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: sulfanyl(thiazol-2-ylmethyl)BLAHone sulfanyl(thiazol-2-ylmethyl)BLAHone

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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) 1.71 7.44 -13.52 1 4 0 51 321.452 2 ↓
Hi High (pH 8-9.5) 2.17 6.15 -41.63 0 4 -1 54 320.444 2 ↓

Analogs

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Popular Name: (4-methylthiazol-2-yl)methyl-sulfanyl-BLAHone (4-methylthiazol-2-yl)methyl-sul…

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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) 1.94 8.05 -13.74 1 4 0 51 335.479 2 ↓
Hi High (pH 8-9.5) 2.39 6.76 -42.41 0 4 -1 54 334.471 2 ↓

Parameters Provided:

ring.id = 580942
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 = 580942 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=580942&filter.purchasability=annotated

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