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

Analogs

22575799
22575799

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aR,7aR)-2-(pyrrolidin-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (2R,3aR,7aR)-2-(pyrrolidin-1-ylm…

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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) 3.32 7.73 -110.41 3 2 2 21 210.365 2 ↓
Hi High (pH 8-9.5) 3.32 5.29 -30.98 2 2 1 20 209.357 2 ↓
Hi High (pH 8-9.5) 3.32 6.38 -30.52 2 2 1 16 209.357 2 ↓

Analogs

22575799
22575799

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aR,7aS)-2-(pyrrolidin-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (2R,3aR,7aS)-2-(pyrrolidin-1-ylm…

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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) 3.32 7.07 -108.12 3 2 2 21 210.365 2 ↓
Hi High (pH 8-9.5) 3.32 4.78 -34 2 2 1 20 209.357 2 ↓
Hi High (pH 8-9.5) 3.32 7.14 -29.66 2 2 1 16 209.357 2 ↓

Parameters Provided:

ring.id = 542964
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 = 542964 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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