UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-amino-2-(2-furylmethyl)isoindoline-1,3-dione 5-amino-2-(2-furylmethyl)isoindo…

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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) 1.43 3.75 -12.81 2 5 0 78 242.234 2 ↓

Analogs

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Popular Name: 4-amino-2-(2-furylmethyl)isoindoline-1,3-dione 4-amino-2-(2-furylmethyl)isoindo…

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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) 1.50 3.88 -11.7 2 5 0 78 242.234 2 ↓

Analogs

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Popular Name: N-[2-(ethylamino)-2-oxo-ethyl]-2-(2-furylmethyl)-1,3-dioxo-isoindoline-5-carboxamide N-[2-(ethylamino)-2-oxo-ethyl]-2…

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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) 1.53 3.53 -15.49 2 8 0 110 355.35 6 ↓

Analogs

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Popular Name: 2-(2-furylmethyl)-1,3-dioxo-N-pentyl-isoindoline-5-carboxamide 2-(2-furylmethyl)-1,3-dioxo-N-pe…

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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) 3.49 7.35 -15.73 1 6 0 81 340.379 7 ↓

Analogs

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Popular Name: 4-amino-2-[(5-iodo-2-furyl)methyl]isoindoline-1,3-dione 4-amino-2-[(5-iodo-2-furyl)methy…

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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) 2.71 5.08 -9.82 2 5 0 78 368.13 2 ↓

Analogs

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Popular Name: 4-amino-2-[[5-(methylsulfanylmethyl)-2-furyl]methyl]isoindoline-1,3-dione 4-amino-2-[[5-(methylsulfanylmet…

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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) 2.23 5.92 -12.17 2 5 0 78 302.355 4 ↓

Parameters Provided:

ring.id = 71033
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 = 71033 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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