UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1R)-1-(2,5-dimethylthiazol-4-yl)ethyl]-1,1-dioxo-thian-4-amine N-[(1R)-1-(2,5-dimethylthiazol-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) 0.95 2.77 -51.57 2 4 1 64 289.446 3 ↓
Hi High (pH 8-9.5) 0.95 1.73 -14.5 1 4 0 59 288.438 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,5-dimethylthiazol-4-yl)ethyl]-1,1-dioxo-thian-4-amine N-[(1S)-1-(2,5-dimethylthiazol-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) 0.95 2.76 -49.72 2 4 1 64 289.446 3 ↓
Hi High (pH 8-9.5) 0.95 1.87 -12.61 1 4 0 59 288.438 3 ↓

Analogs

37982690
37982690
37982691
37982691
44608792
44608792

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Popular Name: N-[(2-methylthiazol-4-yl)methyl]-1,1-dioxo-thian-4-amine N-[(2-methylthiazol-4-yl)methyl]…

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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) 0.17 1.42 -57.59 2 4 1 64 261.392 3 ↓
Hi High (pH 8-9.5) 0.17 0.23 -14.96 1 4 0 59 260.384 3 ↓

Parameters Provided:

ring.id = 8659
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 = 8659 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=8659&filter.purchasability=annotated

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