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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(4-methoxyphenyl)-2-oxo-ethyl]-3-n N-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,…

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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) 3.18 12.72 -24.98 0 10 0 130 465.462 7 ↓
Ref Reference (pH 7) 3.18 12.81 -25.89 0 10 0 130 465.462 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(4-methoxyphenyl)-2-oxo-ethyl]-3-n N-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,…

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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) 3.18 12.65 -24.54 0 10 0 130 465.462 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-2-nitro-N-[2-oxo-2-(p-tolyl)ethyl]benza N-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,…

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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) 3.54 14.88 -33.01 0 9 0 121 449.463 6 ↓
Ref Reference (pH 7) 3.54 14.97 -27.45 0 9 0 121 449.463 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-2-nitro-N-[2-oxo-2-(p-tolyl)ethyl]benza N-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,…

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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) 3.54 14.8 -28.1 0 9 0 121 449.463 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-2,4-dichloro-N-[2-(4-fluorophenyl)-2-ox N-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,…

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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) 4.63 13.89 -16.5 0 6 0 75 477.319 5 ↓

Parameters Provided:

ring.id = 42087
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 = 42087 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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