UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37809567
37809567
37814668
37814668

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)adamantane-1-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) 2.33 5.81 -10.43 1 3 0 41 263.381 4 ↓

Analogs

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Popular Name: N-(3-amino-3-thioxo-propyl)-N-cyclopropyl-adamantane-1-carboxamide N-(3-amino-3-thioxo-propyl)-N-cy…

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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) 2.15 7.43 -12.94 2 3 0 46 306.475 5 ↓

Analogs

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Popular Name: N-(3-aminopropyl)-N-cyclopropyl-adamantane-1-carboxamide N-(3-aminopropyl)-N-cyclopropyl-…

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) 2.04 6.46 -45.92 3 3 1 48 277.432 5 ↓

Parameters Provided:

ring.id = 63464
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 = 63464 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=63464&filter.purchasability=annotated

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