UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-(2-aminophenyl)ethyl]piperidine-2,6-dione 1-[2-(2-aminophenyl)ethyl]piperi…

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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) 1.13 4.99 -9.63 2 4 0 63 232.283 3 ↓

Analogs

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Popular Name: 1-[(2R)-2-amino-2-phenyl-ethyl]-4-methyl-piperidine-2,6-dione 1-[(2R)-2-amino-2-phenyl-ethyl]-…

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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) -0.75 5.36 -37.34 3 4 1 65 247.318 3 ↓
Mid Mid (pH 6-8) -0.75 5.03 -8.18 2 4 0 63 246.31 3 ↓

Analogs

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Popular Name: 1-[(2S)-2-amino-2-phenyl-ethyl]-4-methyl-piperidine-2,6-dione 1-[(2S)-2-amino-2-phenyl-ethyl]-…

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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) -0.75 5.36 -38.51 3 4 1 65 247.318 3 ↓
Mid Mid (pH 6-8) -0.75 4.99 -7.51 2 4 0 63 246.31 3 ↓

Analogs

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Popular Name: 1-[(2S)-2-hydroxy-2-phenyl-ethyl]piperidine-2,6-dione 1-[(2S)-2-hydroxy-2-phenyl-ethyl…

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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) 0.71 4.65 -9.81 1 4 0 58 233.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-hydroxy-2-phenyl-ethyl]piperidine-2,6-dione 1-[(2R)-2-hydroxy-2-phenyl-ethyl…

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) 0.71 4.74 -9.59 1 4 0 58 233.267 3 ↓

Parameters Provided:

ring.id = 35440
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 = 35440 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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