UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(1,3-dioxoisoindolin-2-yl)butyl-fluoro-oxo-BLAHcarbonitrile 4-(1,3-dioxoisoindolin-2-yl)buty…

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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) 4.52 15.36 -17.94 0 8 0 112 536.515 5 ↓

Analogs

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Popular Name: 2-[4-(fluoro-dimethoxy-oxo-BLAHyl)butyl]isoindoline-1,3-dione 2-[4-(fluoro-dimethoxy-oxo-BLAHy…

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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) 4.41 14.12 -20.29 0 9 0 106 571.557 7 ↓

Analogs

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Popular Name: 2-[4-[trimethoxy(oxo)BLAHyl]butyl]isoindoline-1,3-dione 2-[4-[trimethoxy(oxo)BLAHyl]buty…

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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) 5.28 13.37 -23.16 0 10 0 115 583.593 8 ↓

Analogs

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Popular Name: 2-[4-(oxoBLAHyl)butyl]isoindoline-1,3-dione 2-[4-(oxoBLAHyl)butyl]isoindolin…

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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) 5.62 14.87 -19.86 0 7 0 88 493.515 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3-dioxoisoindolin-2-yl)butyl-oxo-BLAHcarbonitrile 4-(1,3-dioxoisoindolin-2-yl)buty…

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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) 5.35 15.25 -19.97 0 8 0 112 518.525 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[dimethoxy(oxo)BLAHyl]butyl]isoindoline-1,3-dione 2-[4-[dimethoxy(oxo)BLAHyl]butyl…

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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) 5.24 14.06 -22.84 0 9 0 106 553.567 7 ↓

Parameters Provided:

ring.id = 471501
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 = 471501 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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