UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

23067002
23067002
21011855
21011855
33496152
33496152

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Popular Name: (1R)-1-(1-adamantyl)-N'-cyclopentyl-N'-methyl-ethane-1,2-diamine (1R)-1-(1-adamantyl)-N'-cyclopen…

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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) 3.54 9.11 -132.65 4 2 2 32 278.484 4 ↓
Hi High (pH 8-9.5) 3.54 8.82 -35.77 3 2 1 30 277.476 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(1-adamantyl)-N'-cyclopentyl-N'-methyl-ethane-1,2-diamine (1S)-1-(1-adamantyl)-N'-cyclopen…

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) 3.54 8.93 -129.39 4 2 2 32 278.484 4 ↓
Hi High (pH 8-9.5) 3.54 9.15 -32.54 3 2 1 30 277.476 4 ↓

Parameters Provided:

ring.id = 144627
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 = 144627 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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