UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33821282
33821282

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Popular Name: (2R,3R)-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-2,6,8,9-tetrahydroxy-7-methyl-3,4-dihydr (2R,3R)-3-[(1S,3S,4R)-3,4-dihydr…

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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) 0.32 -3.74 -16.93 6 9 0 165 420.414 5 ↓
Hi High (pH 8-9.5) 0.32 -0.48 -53.9 5 9 -1 168 419.406 5 ↓
Hi High (pH 8-9.5) 0.32 -2.64 -59.87 5 9 -1 168 419.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-3-[(1S,3S,4S)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-2,6,8,9-tetrahydroxy-7-methyl-3,4-dihydr (2S,3R)-3-[(1S,3S,4S)-3,4-dihydr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.32 -3.03 -13.29 6 9 0 165 420.414 5 ↓
Hi High (pH 8-9.5) 0.32 -1.93 -50.69 5 9 -1 168 419.406 5 ↓

Parameters Provided:

ring.id = 137304
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 = 137304 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=137304&filter.purchasability=annotated

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