UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

48995411
48995411
48998454
48998454
49018067
49018067
49018071
49018071
49112695
49112695

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Popular Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(4-hydroxy-4-phenyl-1-piperidyl)purin-9-yl]tetrahydrofuran-3,4- (2R,3S,4R,5R)-2-(hydroxymethyl)-…

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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) 1.19 1.47 -16.6 4 10 0 137 427.461 4 ↓

Analogs

48998454
48998454
49018067
49018067
49018071
49018071
49112695
49112695
49112696
49112696

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]-4-phenyl-4-pi 1-[1-[9-[(2R,3R,4S,5R)-3,4-dihyd…

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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) 0.21 4.3 -19.31 3 10 0 134 453.499 5 ↓

Analogs

48995408
48995408
48995411
48995411
48998454
48998454
49018067
49018067
49018071
49018071

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,4S,5R)-2-[6-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]purin-9-yl]-5-(hydroxymethyl)tetrahydro (2R,3R,4S,5R)-2-[6-[4-(4-chlorop…

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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) 1.87 1.99 -16.73 4 10 0 137 461.906 4 ↓

Analogs

48998183
48998183
48998454
48998454
49018067
49018067
49018071
49018071
49112695
49112695

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]-4-phenyl-piperid 1-[9-[(2R,3R,4S,5R)-3,4-dihydrox…

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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) 1.62 4.17 -17.7 3 10 0 141 436.472 4 ↓

Parameters Provided:

ring.id = 603127
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 = 603127 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=603127&filter.purchasability=annotated

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