UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(1S)-1-(4-pyridyl)ethyl] [(1S)-1-(4-pyridyl)ethyl]

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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) 2.01 9.81 -24.15 0 7 0 87 349.346 5 ↓
Lo Low (pH 4.5-6) 2.01 10.27 -53.72 1 7 1 88 350.354 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-(4-pyridyl)ethyl] [(1R)-1-(4-pyridyl)ethyl]

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) 2.01 9.81 -22.97 0 7 0 87 349.346 5 ↓
Lo Low (pH 4.5-6) 2.01 10.26 -56.12 1 7 1 88 350.354 5 ↓

Parameters Provided:

ring.id = 506946
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 = 506946 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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