UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1,3-dioxoisoindolin-2-yl)methyl (1,3-dioxoisoindolin-2-yl)methyl

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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) 3.19 -1.99 -17.87 2 8 0 106 395.415 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1,3-dioxoisoindolin-2-yl)methyl (1,3-dioxoisoindolin-2-yl)methyl

Find On: PubMed — Wikipedia — Google

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) 3.40 9.32 -17.67 0 10 0 130 400.343 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1,3-dioxoisoindolin-2-yl)methyl (1,3-dioxoisoindolin-2-yl)methyl

Find On: PubMed — Wikipedia — Google

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) 2.75 -3.87 -17.31 1 8 0 112 388.401 7 ↓

Analogs

11980018
11980018
23062578
23062578

Draw Identity 99% 90% 80% 70%

Popular Name: (1,3-dioxoisoindolin-2-yl)methyl (1,3-dioxoisoindolin-2-yl)methyl

Find On: PubMed — Wikipedia — Google

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) 3.59 -3.33 -17.01 1 8 0 112 416.455 8 ↓

Analogs

23062578
23062578
11980011
11980011

Draw Identity 99% 90% 80% 70%

Popular Name: (1,3-dioxoisoindolin-2-yl)methyl (1,3-dioxoisoindolin-2-yl)methyl

Find On: PubMed — Wikipedia — Google

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) 3.59 -3.3 -16.95 1 8 0 112 416.455 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromobenzoic-acid-phthalimidomethyl-ester 2-bromobenzoic-acid-phthalimidom…

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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) 3.73 0.87 -13.63 0 5 0 65 360.163 4 ↓

Parameters Provided:

ring.id = 1724
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 = 1724 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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