UCSF
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Analogs

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Popular Name: 2-[[4-(adamantane-1-carbonyl)piperazin-1-yl]methyl]-5-[(4-tert-butylphenyl)methoxy]pyran-4-one 2-[[4-(adamantane-1-carbonyl)pip…

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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) 5.30 13.76 -21.81 0 6 0 63 518.698 7 ↓
Mid Mid (pH 6-8) 5.30 16 -73.34 1 6 1 64 519.706 7 ↓

Analogs

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Popular Name: 2-[[4-(adamantane-1-carbonyl)piperazin-1-yl]methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]pyran-4-on 2-[[4-(adamantane-1-carbonyl)pip…

Find On: PubMed — Wikipedia — Google

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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) 4.49 12.44 -22.97 0 6 0 63 530.587 7 ↓
Mid Mid (pH 6-8) 4.49 14.68 -76.16 1 6 1 64 531.595 7 ↓

Parameters Provided:

ring.id = 562136
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 = 562136 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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