UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44526167
44526167

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Popular Name: 4-amino-2-(cyclobutylmethyl)isoindoline-1,3-dione 4-amino-2-(cyclobutylmethyl)isoi…

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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) 1.69 4.8 -8.23 2 4 0 65 230.267 2 ↓

Analogs

44526168
44526168
44526170
44526170

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Popular Name: 5-amino-2-(cyclobutylmethyl)isoindoline-1,3-dione 5-amino-2-(cyclobutylmethyl)isoi…

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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) 1.62 4.68 -8.34 2 4 0 65 230.267 2 ↓

Analogs

45630894
45630894
45630896
45630896

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Popular Name: 2-(cyclobutylmethyl)-1,3-dioxo-isoindoline-5-carboxylic 2-(cyclobutylmethyl)-1,3-dioxo-i…

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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) 2.46 7.38 -42.86 0 5 -1 79 258.253 3 ↓

Parameters Provided:

ring.id = 543899
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 = 543899 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=543899&filter.purchasability=annotated

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