UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: [3-[(4S)-6-amino-5-cyano-3-(3-nitrophenyl)-1,4-dihydropyrano[5,6-d]pyrazol-4-yl]phenyl] [3-[(4S)-6-amino-5-cyano-3-(3-ni…

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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) 2.28 5.88 -18.9 3 12 0 172 488.46 5 ↓
Lo Low (pH 4.5-6) 2.28 6.15 -70.58 4 12 1 174 489.468 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(4R)-6-amino-5-cyano-3-(3-nitrophenyl)-1,4-dihydropyrano[5,6-d]pyrazol-4-yl]phenyl] [3-[(4R)-6-amino-5-cyano-3-(3-ni…

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) 2.28 5.95 -19.62 3 12 0 172 488.46 5 ↓
Lo Low (pH 4.5-6) 2.28 6.17 -72.29 4 12 1 174 489.468 5 ↓

Parameters Provided:

ring.id = 133906
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 = 133906 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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