UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36542279
36542279
22635796
22635796
22635802
22635802

Draw Identity 99% 90% 80% 70%

Popular Name: (3-ethoxy-4-hydroxy-phenyl)-methyl-BLAHol (3-ethoxy-4-hydroxy-phenyl)-meth…

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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) 1.93 1.86 -43.65 4 6 1 79 360.459 3 ↓
Mid Mid (pH 6-8) 1.93 -0.56 -9.96 3 6 0 77 359.451 3 ↓

Analogs

36542278
36542278
22635796
22635796
22635802
22635802

Draw Identity 99% 90% 80% 70%

Popular Name: (3-ethoxy-4-hydroxy-phenyl)-methyl-BLAHol (3-ethoxy-4-hydroxy-phenyl)-meth…

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) 1.93 1.87 -44.37 4 6 1 79 360.459 3 ↓
Mid Mid (pH 6-8) 1.93 -0.53 -9.67 3 6 0 77 359.451 3 ↓

Parameters Provided:

ring.id = 98877
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 = 98877 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=98877&filter.purchasability=annotated

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