UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38202569
38202569
8406609
8406609

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Popular Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(4-pentoxyphenyl)methyleneamino]triazole-4 1-(4-amino-1,2,5-oxadiazol-3-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) 4.59 10.11 -33.37 4 12 1 151 496.596 11 ↓
Hi High (pH 8-9.5) 4.59 8.13 -9.87 3 12 0 150 495.588 11 ↓

Analogs

61969794
61969794

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Popular Name: BRD-K41270522-001-04-6 BRD-K41270522-001-04-6

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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) 2.74 7.34 -34.15 4 11 1 142 428.452 6 ↓

Parameters Provided:

ring.id = 13593
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 = 13593 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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