UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4949939
4949939
21313998
21313998
633239
633239

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Popular Name: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(p-tolylmethyl)purine-2,6-dione 8-(4-ethylpiperazin-1-yl)-3-meth…

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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) 1.78 -2.5 -51.7 2 8 1 80 383.476 4 ↓
Mid Mid (pH 6-8) 1.78 -2.2 -113.55 3 8 2 81 384.484 4 ↓

Analogs

4818424
4818424

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Popular Name: 1,3-dimethyl-8-(4-propanoylpiperazin-1-yl)-7-(p-tolylmethyl)purine-2,6-dione 1,3-dimethyl-8-(4-propanoylpiper…

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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) 2.62 11.28 -15.32 0 9 0 85 424.505 4 ↓
Mid Mid (pH 6-8) 2.62 11.72 -44.62 1 9 1 87 425.513 4 ↓

Analogs

4818421
4818421

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Popular Name: 8-(4-acetylpiperazin-1-yl)-1,3-dimethyl-7-(p-tolylmethyl)purine-2,6-dione 8-(4-acetylpiperazin-1-yl)-1,3-d…

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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) 1.78 10.46 -15.48 0 9 0 85 410.478 3 ↓
Mid Mid (pH 6-8) 1.78 10.9 -44.61 1 9 1 87 411.486 3 ↓

Parameters Provided:

ring.id = 247029
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 = 247029 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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