UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile 2-amino-4-[3-({4-nitro-1H-pyrazo…

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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) 2.64 9.55 -19.86 2 11 0 162 471.429 5 ↓
Lo Low (pH 4.5-6) 2.64 9.96 -66.21 3 11 1 164 472.437 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile 2-amino-4-[3-({4-nitro-1H-pyrazo…

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) 2.64 9.55 -20.28 2 11 0 162 471.429 5 ↓
Lo Low (pH 4.5-6) 2.64 9.96 -68.95 3 11 1 164 472.437 5 ↓

Parameters Provided:

ring.id = 230609
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 = 230609 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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