UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3875971
3875971

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Popular Name: hydroxymethyl-dimethyl-BLAHone hydroxymethyl-dimethyl-BLAHone

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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) 3.90 -0.47 -8.17 1 2 0 37 314.469 1 ↓

Analogs

3875971
3875971

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl-(hydroxymethyl)-methyl-BLAHone ethyl-(hydroxymethyl)-methyl-BLA…

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) 4.24 -0.36 -8.32 1 2 0 37 328.496 2 ↓

Parameters Provided:

ring.id = 245953
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 = 245953 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=245953&filter.purchasability=annotated

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