UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4889346
4889346

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Popular Name: 3-(2-methoxyphenyl)-N-(3-oxo-5-phenyl-2,6,7,9-tetrazabicyclo[4.3.0]nona-7,9-dien-8-yl)-prop-2-enamid 3-(2-methoxyphenyl)-N-(3-oxo-5-p…

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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) 2.35 11.36 -19.25 2 8 0 98 389.415 5 ↓
Hi High (pH 8-9.5) 2.72 6.81 -70.33 1 8 -1 108 388.407 5 ↓
Hi High (pH 8-9.5) 2.54 9.51 -59.37 1 8 -1 104 388.407 5 ↓

Analogs

4889345
4889345

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-methoxyphenyl)-N-(3-oxo-5-phenyl-2,6,7,9-tetrazabicyclo[4.3.0]nona-7,9-dien-8-yl)-prop-2-enamid 3-(2-methoxyphenyl)-N-(3-oxo-5-p…

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) 2.35 11.36 -19.26 2 8 0 98 389.415 5 ↓
Hi High (pH 8-9.5) 2.54 9.51 -59.38 1 8 -1 104 388.407 5 ↓
Mid Mid (pH 6-8) 2.54 9.39 -61.99 1 8 -1 104 388.407 5 ↓

Parameters Provided:

ring.id = 249320
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 = 249320 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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