UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4171365
4171365
9042717
9042717

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Popular Name: ethyl-dimethyl-phenyl-BLAHdione ethyl-dimethyl-phenyl-BLAHdione

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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) 2.47 9.77 -8.15 1 8 0 86 338.371 2 ↓
Mid Mid (pH 6-8) 2.47 -0.34 -33.48 2 8 1 87 339.379 2 ↓
Lo Low (pH 4.5-6) 2.65 10.82 -32.87 2 8 1 91 339.379 2 ↓

Analogs

9042717
9042717
4171363
4171363

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl-dimethyl-phenyl-BLAHdione ethyl-dimethyl-phenyl-BLAHdione

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) 2.47 9.88 -8.23 1 8 0 86 338.371 2 ↓
Mid Mid (pH 6-8) 2.47 -0.6 -33.46 2 8 1 87 339.379 2 ↓
Lo Low (pH 4.5-6) 2.65 10.77 -32.88 2 8 1 91 339.379 2 ↓

Parameters Provided:

ring.id = 247288
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 = 247288 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=247288&filter.purchasability=annotated

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