UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

49785907
49785907
22055699
22055699
3874450
3874450

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Popular Name: (3aS,4S,6R,6aR)-6-[6-[benzyl(methyl)amino]purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[ (3aS,4S,6R,6aR)-6-[6-[benzyl(met…

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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) 2.21 10.76 -13 1 10 0 104 452.515 6 ↓

Analogs

49785907
49785907
22055699
22055699
3874450
3874450

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,6R,6aR)-6-[6-[benzyl(ethyl)amino]purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3 (3aS,4S,6R,6aR)-6-[6-[benzyl(eth…

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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) 2.59 11.7 -12.76 1 10 0 104 466.542 7 ↓

Analogs

49785907
49785907
22055699
22055699
3874449
3874449

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,6R,6aR)-6-[6-[benzyl(2-hydroxyethyl)amino]purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahy (3aS,4S,6R,6aR)-6-[6-[benzyl(2-h…

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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) 1.58 8.46 -13.33 2 11 0 124 482.541 8 ↓

Parameters Provided:

ring.id = 603191
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 = 603191 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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