UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20614141
20614141
33590867
33590867
33740386
33740386
16652749
16652749
4606568
4606568

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Popular Name: N'-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N-(2-furylmethyl)oxamide N'-[(2S)-2-(1,3-benzodioxol-5-yl…

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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) 0.53 0.77 -11.96 2 9 0 102 401.419 7 ↓

Analogs

33581543
33581543
33590867
33590867
33709138
33709138
33740386
33740386
20614139
20614139

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Popular Name: N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N-(2-furylmethyl)oxamide N'-[(2R)-2-(1,3-benzodioxol-5-yl…

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) 0.53 1.09 -10.95 2 9 0 102 401.419 7 ↓

Parameters Provided:

ring.id = 73626
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 = 73626 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=73626&filter.purchasability=annotated

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