UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41971627
41971627

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Popular Name: 3-pyridylmethyl 3-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) 0.44 3.03 -16.27 0 5 0 73 255.295 4 ↓
Lo Low (pH 4.5-6) 0.44 3.49 -48.99 1 5 1 75 256.303 4 ↓

Analogs

41971625
41971625

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Popular Name: 3-pyridylmethyl 3-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) 0.44 3 -16.79 0 5 0 73 255.295 4 ↓
Lo Low (pH 4.5-6) 0.44 3.47 -50.21 1 5 1 75 256.303 4 ↓

Parameters Provided:

ring.id = 597778
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 = 597778 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=597778&filter.purchasability=annotated

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