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Analogs

44725649
44725649
44725650
44725650

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Popular Name: 5-amino-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]isoindoline-1,3-dione 5-amino-2-[[(2R)-1-ethylpyrrolid…

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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) 1.37 6.27 -29.24 3 5 1 70 274.344 3 ↓
Hi High (pH 8-9.5) 1.37 4.21 -10.74 2 5 0 68 273.336 3 ↓

Analogs

44725649
44725649
44725650
44725650

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]isoindoline-1,3-dione 5-amino-2-[[(2S)-1-ethylpyrrolid…

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) 1.37 5.91 -29.56 3 5 1 70 274.344 3 ↓
Hi High (pH 8-9.5) 1.37 3.8 -10.66 2 5 0 68 273.336 3 ↓

Analogs

44725651
44725651
44725652
44725652
45652150
45652150
45652153
45652153

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]isoindoline-1,3-dione 4-amino-2-[[(2R)-1-ethylpyrrolid…

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) 1.44 6.19 -28.77 3 5 1 70 274.344 3 ↓
Hi High (pH 8-9.5) 1.44 4.03 -9.67 2 5 0 68 273.336 3 ↓

Analogs

44725651
44725651
44725652
44725652
45652150
45652150
45652153
45652153

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]isoindoline-1,3-dione 4-amino-2-[[(2S)-1-ethylpyrrolid…

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) 1.44 5.43 -35.27 3 5 1 70 274.344 3 ↓
Hi High (pH 8-9.5) 1.44 3.07 -8.91 2 5 0 68 273.336 3 ↓

Parameters Provided:

ring.id = 70983
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 = 70983 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=70983&filter.purchasability=annotated

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