UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43284699
43284699
43284702
43284702
43284705
43284705

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Popular Name: [(2R,3R,4S,5R)-4-acetoxy-2-(acetoxymethyl)-5-[4-[bis(2,2-dimethylaziridin-1-yl)phosphorylamino]-2-ox [(2R,3R,4S,5R)-4-acetoxy-2-(acet…

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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) 0.30 6.09 -35.11 1 14 0 158 555.525 12 ↓

Analogs

43860940
43860940
43860943
43860943
43860945
43860945

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Popular Name: [(2R,3S,5R)-2-(acetoxymethyl)-5-[4-[bis(2,2-dimethylaziridin-1-yl)phosphorylamino]-2-oxo-pyrimidin-1 [(2R,3S,5R)-2-(acetoxymethyl)-5-…

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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) 0.51 5.14 -38.34 1 12 0 132 497.489 10 ↓

Parameters Provided:

ring.id = 237577
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 = 237577 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=237577&filter.purchasability=annotated

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