UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-methyl-6-(9H-purin-6-ylsulfanyl)pyridin-3-amine 5-methyl-6-(9H-purin-6-ylsulfany…

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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) 1.37 5.02 -16.78 3 6 0 93 258.31 2 ↓
Hi High (pH 8-9.5) 1.37 4.54 -45.22 2 6 -1 92 257.302 2 ↓

Analogs

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Popular Name: 6-[(6-bromo-2-pyridyl)sulfanyl]-9H-purine 6-[(6-bromo-2-pyridyl)sulfanyl]-…

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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) 2.49 7.06 -16.45 1 5 0 67 308.164 2 ↓
Hi High (pH 8-9.5) 2.49 6.58 -42.46 0 5 -1 66 307.156 2 ↓

Analogs

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Popular Name: 6-(7H-purin-6-ylsulfanyl)pyridine-3-carboxylic 6-(7H-purin-6-ylsulfanyl)pyridin…

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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) 0.92 7.11 -55.67 1 7 -1 107 272.269 3 ↓
Hi High (pH 8-9.5) 0.92 6.63 -89.54 0 7 -2 106 271.261 3 ↓

Parameters Provided:

ring.id = 23137
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 = 23137 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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