UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl hydrosulfide 1-[2-(trifluoromethyl)phenyl]-1H…

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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) 2.32 5.17 -37.17 3 4 1 51 244.318 3 ↓
Hi High (pH 8-9.5) 2.32 4.7 -8.05 2 4 0 50 243.31 3 ↓
Lo Low (pH 4.5-6) 2.32 6.12 -45.68 3 4 1 55 244.318 3 ↓

Analogs

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Popular Name: 5-({4-nitrophenyl}sulfanyl)-6-phenylimidazo[2,1-b][1,3]thiazole 5-({4-nitrophenyl}sulfanyl)-6-ph…

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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) 2.32 5.22 -35.75 3 4 1 51 244.318 3 ↓
Hi High (pH 8-9.5) 2.32 4.74 -8.27 2 4 0 50 243.31 3 ↓
Lo Low (pH 4.5-6) 2.32 6.12 -45.7 3 4 1 55 244.318 3 ↓

Parameters Provided:

ring.id = 419575
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 = 419575 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=419575&filter.purchasability=annotated

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