UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44404025
44404025

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Popular Name: dimethylamino-pentahydroxy-methoxy-dimethyl-BLAHdione dimethylamino-pentahydroxy-metho…

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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) 1.82 2.5 -41.43 6 11 1 167 542.561 2 ↓
Mid Mid (pH 6-8) 1.82 2.67 -16.67 5 11 0 166 541.553 2 ↓

Analogs

44404025
44404025

Draw Identity 99% 90% 80% 70%

Popular Name: dimethylamino-pentahydroxy-methoxy-dimethyl-BLAHdione dimethylamino-pentahydroxy-metho…

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) 1.82 2.16 -40.41 6 11 1 167 542.561 2 ↓
Mid Mid (pH 6-8) 1.82 2.33 -15.48 5 11 0 166 541.553 2 ↓

Parameters Provided:

ring.id = 124604
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 = 124604 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=124604&filter.purchasability=annotated

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