UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4102869
4102869

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Popular Name: (4R)-6-amino-4-[3-methoxy-4-(2-morpholinoethoxy)phenyl]-3-propyl-2,4-dihydropyrano[6,5-c]pyrazole-5- (4R)-6-amino-4-[3-methoxy-4-(2-m…

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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) 2.04 1.65 -12.95 3 9 0 119 439.516 8 ↓
Lo Low (pH 4.5-6) 2.04 3.94 -41.25 4 9 1 120 440.524 8 ↓

Analogs

4102869
4102869

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-amino-4-[3-methoxy-4-(2-morpholinoethoxy)phenyl]-3-propyl-2,4-dihydropyrano[6,5-c]pyrazole-5- (4S)-6-amino-4-[3-methoxy-4-(2-m…

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) 2.04 1.83 -12.73 3 9 0 119 439.516 8 ↓
Lo Low (pH 4.5-6) 2.04 5.21 -100.15 5 9 2 121 441.532 8 ↓
Lo Low (pH 4.5-6) 2.04 4.1 -42.25 4 9 1 120 440.524 8 ↓

Parameters Provided:

ring.id = 59846
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 = 59846 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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