UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1E)-5,6-dibenzyl-1-benzylidene-2-methoxy-isoindoline (1E)-5,6-dibenzyl-1-benzylidene-…

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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) 7.39 17.12 -7.77 0 2 0 12 417.552 6 ↓

Analogs

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Popular Name: (1E)-5,6-dibenzyl-1-benzylidene-2-methylsulfanyl-isoindoline (1E)-5,6-dibenzyl-1-benzylidene-…

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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) 7.93 18.45 -6.38 0 1 0 3 433.62 6 ↓
Lo Low (pH 4.5-6) 7.93 18.68 -33.02 1 1 1 4 434.628 6 ↓

Analogs

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Popular Name: (1E)-5,6-dibenzyl-1-benzylidene-2-hydroxy-isoindoline (1E)-5,6-dibenzyl-1-benzylidene-…

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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) 7.11 15.11 -9.85 1 2 0 23 403.525 5 ↓

Analogs

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Popular Name: (1E)-5,6-dibenzyl-1-benzylidene-2-fluoro-isoindoline (1E)-5,6-dibenzyl-1-benzylidene-…

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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) 7.50 17.5 -7.27 0 1 0 3 405.516 5 ↓

Analogs

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Popular Name: (1E)-5,6-dibenzyl-1-benzylidene-2-chloro-isoindoline (1E)-5,6-dibenzyl-1-benzylidene-…

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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) 8.01 18.13 -6.2 0 1 0 3 421.971 5 ↓

Analogs

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Popular Name: (1E)-5,6-dibenzyl-1-benzylidene-2-bromo-isoindoline (1E)-5,6-dibenzyl-1-benzylidene-…

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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) 8.13 18.22 -6.06 0 1 0 3 466.422 5 ↓

Analogs

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Popular Name: (1E)-5,6-dibenzyl-1-benzylidene-2-iodo-isoindoline (1E)-5,6-dibenzyl-1-benzylidene-…

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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) 8.35 18.68 -6.08 0 1 0 3 513.422 5 ↓

Analogs

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Popular Name: (1E)-5,6-dibenzyl-1-benzylidene-2-ethoxy-isoindoline (1E)-5,6-dibenzyl-1-benzylidene-…

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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) 7.77 18.08 -7.64 0 2 0 12 431.579 7 ↓

Analogs

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Popular Name: (1E)-5,6-dibenzyl-1-benzylidene-2-isopropylsulfonyl-isoindoline (1E)-5,6-dibenzyl-1-benzylidene-…

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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) 7.54 16.49 -12.1 0 3 0 37 493.672 7 ↓

Parameters Provided:

ring.id = 607113
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 = 607113 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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