UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

28902197
28902197

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Popular Name: 5-benzyl-4-phenyl-thiazol-2-amine 5-benzyl-4-phenyl-thiazol-2-amine

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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) 4.35 8.86 -7.51 2 2 0 39 266.369 3 ↓
Hi High (pH 8-9.5) 4.35 8.92 -39.74 1 2 -1 36 265.361 3 ↓

Analogs

28902197
28902197
350026
350026

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Popular Name: 5-benzyl-4-(4-methoxyphenyl)thiazol-2-amine 5-benzyl-4-(4-methoxyphenyl)thia…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.40 8.14 -7.88 2 3 0 48 296.395 4 ↓
Lo Low (pH 4.5-6) 4.40 8.57 -30.55 3 3 1 49 297.403 4 ↓

Parameters Provided:

ring.id = 563198
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 = 563198 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=563198&filter.purchasability=annotated

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