UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38602223
38602223

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Popular Name: DNC009272 DNC009272

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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) -0.23 2.41 -73.41 1 8 -1 120 289.223 1 ↓
Hi High (pH 8-9.5) -0.23 3.19 -111.99 0 8 -2 123 288.215 1 ↓
Lo Low (pH 4.5-6) -0.23 1.28 -17.24 2 8 0 117 290.231 1 ↓

Analogs

38602222
38602222

Draw Identity 99% 90% 80% 70%

Popular Name: DNC009272 DNC009272

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) -0.23 2.58 -72.96 1 8 -1 120 289.223 1 ↓
Hi High (pH 8-9.5) -0.23 3.36 -108.91 0 8 -2 123 288.215 1 ↓
Lo Low (pH 4.5-6) -0.23 1.45 -19.54 2 8 0 117 290.231 1 ↓

Parameters Provided:

ring.id = 597321
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 = 597321 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=597321&filter.purchasability=annotated

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