UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

49089997
49089997

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Popular Name: N-[9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl]purin-6-yl]-methox N-[9-[(2R,3R,4R,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) -2.63 -2.28 -62.29 4 12 -1 178 374.27 4 ↓
Mid Mid (pH 6-8) -2.00 -2.87 -61.17 4 12 -1 175 374.27 5 ↓
Lo Low (pH 4.5-6) -2.00 -2.37 -38.28 5 12 0 176 375.278 5 ↓

Analogs

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Popular Name: 1-(5-phosphoribosyl)-5'-AMP 1-(5-phosphoribosyl)-5'-AMP

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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) -4.85 -6.23 -308.25 5 19 -4 304 555.286 8 ↓
Mid Mid (pH 6-8) -5.53 -5.68 -267.6 6 19 -3 305 556.294 8 ↓
Lo Low (pH 4.5-6) -5.53 -7.99 -90.89 8 19 -1 299 558.31 8 ↓

Parameters Provided:

ring.id = 13669
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 = 13669 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=13669&filter.purchasability=annotated

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