UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6489262
6489262
8326968
8326968

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Popular Name: N-(2-adamantyl)-1,3,5-trimethyl-pyrazole-4-carboxamide N-(2-adamantyl)-1,3,5-trimethyl-…

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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) 2.72 -0.36 -10.27 1 4 0 46 287.407 2 ↓

Analogs

35732500
35732500
35732446
35732446
35732445
35732445
35732444
35732444
35732443
35732443

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Popular Name: N-(2-adamantyl)-N-methyl-1H-pyrazole-4-carboxamide N-(2-adamantyl)-N-methyl-1H-pyra…

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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) 1.99 5.92 -9.04 1 4 0 49 259.353 2 ↓

Analogs

36165539
36165539
36165623
36165623
36165622
36165622
36165620
36165620
36165618
36165618

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-adamantyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide N-(2-adamantyl)-N,3,5-trimethyl-…

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) 2.43 7.2 -9.23 1 4 0 49 287.407 2 ↓

Parameters Provided:

ring.id = 234059
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 = 234059 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=234059&filter.purchasability=annotated

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