UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37108806
37108806

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Popular Name: 2-pyridylmethyl 2-pyridylmethyl

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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) 3.92 12.04 -11.44 0 5 0 66 359.381 5 ↓
Lo Low (pH 4.5-6) 3.92 12.45 -40.78 1 5 1 67 360.389 5 ↓

Analogs

37108804
37108804

Draw Identity 99% 90% 80% 70%

Popular Name: 2-pyridylmethyl 2-pyridylmethyl

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) 3.92 12.03 -11.41 0 5 0 66 359.381 5 ↓
Lo Low (pH 4.5-6) 3.92 12.44 -40.74 1 5 1 67 360.389 5 ↓

Parameters Provided:

ring.id = 542664
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 = 542664 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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