UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

49116309
49116309
1429457
1429457

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Popular Name: 9-methyl-2-phenyl-7H-purin-8-one 9-methyl-2-phenyl-7H-purin-8-one

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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) 1.65 5.65 -9.19 1 5 0 64 226.239 1 ↓

Analogs

22006822
22006822

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Popular Name: 2-(8-oxo-2-phenyl-7H-purin-9-yl)-N,N-dipropyl-acetamide 2-(8-oxo-2-phenyl-7H-purin-9-yl)…

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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) 2.76 9.78 -15.85 1 7 0 84 353.426 7 ↓

Analogs

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Popular Name: 6-chloro-9-methyl-2-phenyl-7H-purin-8-one 6-chloro-9-methyl-2-phenyl-7H-pu…

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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) 2.45 6.05 -6.54 1 5 0 64 260.684 1 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.96 9.92 -14.33 0 7 0 79 312.329 5 ↓

Analogs

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Popular Name: 2-(9-methyl-8-oxo-2-phenyl-purin-7-yl)acetic 2-(9-methyl-8-oxo-2-phenyl-purin…

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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) 0.96 8.9 -49.61 0 7 -1 93 283.267 3 ↓

Parameters Provided:

ring.id = 13919
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 = 13919 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=13919&filter.purchasability=annotated

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