UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6314177
6314177
6314190
6314190

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Popular Name: methyl methyl

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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) 1.14 5.43 -55.42 0 9 -1 112 450.471 8 ↓
Mid Mid (pH 6-8) 1.58 6.69 -64.59 2 9 1 110 452.487 7 ↓
Mid Mid (pH 6-8) 0.55 7.7 -66.36 1 9 1 107 452.487 8 ↓

Analogs

6314177
6314177
6314190
6314190

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 1.14 5.84 -53.86 0 9 -1 112 450.471 8 ↓
Mid Mid (pH 6-8) 1.58 7.12 -66.99 2 9 1 110 452.487 7 ↓
Mid Mid (pH 6-8) 0.55 8.09 -72.36 1 9 1 107 452.487 8 ↓

Parameters Provided:

ring.id = 226221
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 = 226221 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=226221&filter.purchasability=annotated

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