UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(R)-cyclopropyl-(4-methyl-2-pyridyl)methyl]-5-hydroxy-4-oxo-pyran-2-carboxamide N-[(R)-cyclopropyl-(4-methyl-2-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) 1.04 4.98 -49.73 1 6 -1 95 299.306 4 ↓
Lo Low (pH 4.5-6) 1.04 4.61 -53.21 3 6 1 94 301.322 4 ↓
Lo Low (pH 4.5-6) 1.04 4.12 -16.79 2 6 0 92 300.314 4 ↓

Analogs

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Popular Name: N-[(S)-cyclopropyl-(4-methyl-2-pyridyl)methyl]-5-hydroxy-4-oxo-pyran-2-carboxamide N-[(S)-cyclopropyl-(4-methyl-2-p…

Find On: PubMed — Wikipedia — Google

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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) 1.04 5.29 -49.68 1 6 -1 95 299.306 4 ↓
Lo Low (pH 4.5-6) 1.04 4.7 -53.23 3 6 1 94 301.322 4 ↓
Lo Low (pH 4.5-6) 1.04 4.43 -17.09 2 6 0 92 300.314 4 ↓

Parameters Provided:

ring.id = 520832
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 = 520832 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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