UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

31933682
31933682
12857648
12857648
12619305
12619305

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Popular Name: 2-[(benzyl-methyl-amino)methyl]-5-(p-tolyl)thieno[3,2-e]pyrimidin-4-ol 2-[(benzyl-methyl-amino)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) 4.22 9.56 -19.68 1 4 0 49 375.497 5 ↓

Analogs

12857648
12857648
12619305
12619305

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(benzyl-methyl-amino)methyl]-5-phenyl-thieno[3,2-e]pyrimidin-4-ol 2-[(benzyl-methyl-amino)methyl]-…

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) 3.78 8.88 -19.51 1 4 0 49 361.47 5 ↓
Mid Mid (pH 6-8) 3.78 11 -69.99 2 4 1 50 362.478 5 ↓

Parameters Provided:

ring.id = 225663
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 = 225663 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=225663&filter.purchasability=annotated

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