UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11977483
11977483
12078461
12078461
12078462
12078462

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Popular Name: [(3R)-3-dimethylaminopyrrolidin-1-yl]-[5-(methoxymethyl)-1-BLAHyl-pyrazol-4-yl]methanone [(3R)-3-dimethylaminopyrrolidin-…

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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) 2.31 0.47 -52.88 1 8 1 78 447.563 5 ↓

Analogs

12078461
12078461
12078462
12078462
11977479
11977479

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-dimethylaminopyrrolidin-1-yl]-[5-(methoxymethyl)-1-BLAHyl-pyrazol-4-yl]methanone [(3S)-3-dimethylaminopyrrolidin-…

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) 2.31 0.45 -52.86 1 8 1 78 447.563 5 ↓

Parameters Provided:

ring.id = 63324
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 = 63324 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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