UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12212079
12212079
19839872
19839872
19839874
19839874

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Popular Name: 5-(methoxymethyl)-N-[(1S)-3-methyl-1-[7-(2-pyridylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][ 5-(methoxymethyl)-N-[(1S)-3-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) 1.85 -0.86 -56.97 2 9 1 100 453.567 9 ↓

Analogs

19839872
19839872
19839874
19839874
12212077
12212077

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(methoxymethyl)-N-[(1R)-3-methyl-1-[7-(2-pyridylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][ 5-(methoxymethyl)-N-[(1R)-3-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) 1.85 -0.79 -55.09 2 9 1 100 453.567 9 ↓

Parameters Provided:

ring.id = 89548
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 = 89548 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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