UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

28167221
28167221
28167226
28167226
28167231
28167231

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Popular Name: (2S)-2-[(1S)-1-hydroxy-3-oxo-isoindolin-2-yl]-3-(4-hydroxyphenyl)propanoic (2S)-2-[(1S)-1-hydroxy-3-oxo-iso…

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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) -0.40 4.16 -67.39 2 6 -1 101 312.301 4 ↓

Analogs

28167221
28167221
28167226
28167226
28167231
28167231

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(1R)-1-hydroxy-3-oxo-isoindolin-2-yl]-3-(4-hydroxyphenyl)propanoic (2S)-2-[(1R)-1-hydroxy-3-oxo-iso…

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) -0.40 4.22 -63.75 2 6 -1 101 312.301 4 ↓

Analogs

28167221
28167221
28167226
28167226
28167231
28167231

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(1S)-1-hydroxy-3-oxo-isoindolin-2-yl]-3-(4-hydroxyphenyl)propanoic (2R)-2-[(1S)-1-hydroxy-3-oxo-iso…

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) -0.40 4.38 -63.55 2 6 -1 101 312.301 4 ↓

Analogs

28167221
28167221
28167226
28167226
28167231
28167231

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(1R)-1-hydroxy-3-oxo-isoindolin-2-yl]-3-(4-hydroxyphenyl)propanoic (2R)-2-[(1R)-1-hydroxy-3-oxo-iso…

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) -0.40 4.31 -67.13 2 6 -1 101 312.301 4 ↓

Analogs

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Popular Name: 2-[2-(4-hydroxyphenyl)ethyl]-5-methoxy-4-(pentylamino)isoindolin-1-one 2-[2-(4-hydroxyphenyl)ethyl]-5-m…

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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) 4.05 7.49 -11.17 2 5 0 62 368.477 9 ↓

Parameters Provided:

ring.id = 6704
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 = 6704 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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