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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR)-2-(2-dimethylaminoethyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (3aR)-2-(2-dimethylaminoethyl)-3…

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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) 0.74 5.04 -35.66 1 4 1 37 196.274 3 ↓
Hi High (pH 8-9.5) 0.74 2.6 -9.24 0 4 0 36 195.266 3 ↓
Hi High (pH 8-9.5) 0.74 2.59 -9.35 0 4 0 36 195.266 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR)-2-isopentyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (3aR)-2-isopentyl-3a,4,5,6-tetra…

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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) 2.14 5.68 -14.62 1 3 0 38 194.278 3 ↓
Mid Mid (pH 6-8) 2.60 3.69 -7.05 1 3 0 38 194.278 3 ↓

Parameters Provided:

ring.id = 125539
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 = 125539 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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