UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-{[(4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 2-{[(4-methylphenyl)amino]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) 2.43 7.07 -5.86 1 4 0 49 270.332 3 ↓
Ref Reference (pH 7) 2.43 7.06 -5.98 1 4 0 49 270.332 3 ↓

Analogs

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Popular Name: BRD-A35864408-001-01-1 BRD-A35864408-001-01-1

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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) 1.58 9.27 -10.82 0 5 0 58 298.342 3 ↓
Ref Reference (pH 7) 1.58 8.27 -10.71 0 5 0 58 298.342 3 ↓

Analogs

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Popular Name: 2-{[(2-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 2-{[(2-methylphenyl)amino]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) 2.38 7.18 -5.81 1 4 0 49 270.332 3 ↓
Ref Reference (pH 7) 2.38 7.17 -5.96 1 4 0 49 270.332 3 ↓

Analogs

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Popular Name: 2-{[(3-chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 2-{[(3-chloro-4-methylphenyl)ami…

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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) 3.03 7.5 -6.47 1 4 0 49 304.777 3 ↓
Ref Reference (pH 7) 3.03 7.49 -6.53 1 4 0 49 304.777 3 ↓

Analogs

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Popular Name: 2-[(3-chloroanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 2-[(3-chloroanilino)methyl]-3a,4…

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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) 2.63 6.91 -6.38 1 4 0 49 290.75 3 ↓
Ref Reference (pH 7) 2.63 6.9 -6.41 1 4 0 49 290.75 3 ↓

Analogs

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Popular Name: 2-{[(4-methoxyphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 2-{[(4-methoxyphenyl)amino]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) 2.04 5.68 -7.31 1 5 0 59 286.331 4 ↓
Ref Reference (pH 7) 2.04 5.7 -8.27 1 5 0 59 286.331 4 ↓
Ref Reference (pH 7) 2.04 5.68 -7.45 1 5 0 59 286.331 4 ↓

Analogs

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Popular Name: methyl 4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)methyl]amino}benzoate methyl 4-{[(1,3-dioxo-1,3,3a,4,7…

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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) 2.15 7.03 -10.07 1 6 0 76 314.341 5 ↓
Ref Reference (pH 7) 2.15 7.04 -9.89 1 6 0 76 314.341 5 ↓

Analogs

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Popular Name: 2-{[(4-fluorophenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 2-{[(4-fluorophenyl)amino]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) 2.14 6.45 -6.51 1 4 0 49 274.295 3 ↓

Parameters Provided:

ring.id = 41140
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 = 41140 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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