UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[2-[2-amino-4-oxo-3-(4-phenylthiazol-2-yl)-5H-pyrrol-1-yl]ethyl]benzenesulfonamide 4-[2-[2-amino-4-oxo-3-(4-phenylt…

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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) 0.54 5.75 -30.09 4 7 0 119 440.55 6 ↓

Analogs

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Popular Name: 5-amino-4-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-1-[2-(2-methoxyphenyl)ethyl]-2H-pyrrol-3-one 5-amino-4-[4-(3,4-dimethoxypheny…

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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) 4.15 8.02 -15.88 3 7 0 92 451.548 8 ↓
Ref Reference (pH 7) 1.50 9.39 -22.89 2 7 0 87 451.548 8 ↓
Mid Mid (pH 6-8) 4.15 8.76 -66.15 2 7 -1 95 450.54 8 ↓

Parameters Provided:

ring.id = 225566
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 = 225566 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=225566&filter.purchasability=annotated

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