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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-(1-piperidyl)propyl]pyrrole-2,5-dione 1-[(2S)-2-(1-piperidyl)propyl]py…

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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) 1.05 6.12 -33.23 1 4 1 44 223.296 3 ↓
Hi High (pH 8-9.5) 1.05 3.93 -7.44 0 4 0 42 222.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-(1-piperidyl)propyl]pyrrole-2,5-dione 1-[(2R)-2-(1-piperidyl)propyl]py…

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) 1.05 6.08 -33.2 1 4 1 44 223.296 3 ↓
Hi High (pH 8-9.5) 1.05 4.17 -6.15 0 4 0 42 222.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-1-[(2R)-2-(1-piperidyl)propyl]pyrrole-2,5-dione 3-methyl-1-[(2R)-2-(1-piperidyl)…

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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) 1.43 6.77 -32.61 1 4 1 44 237.323 3 ↓
Hi High (pH 8-9.5) 1.43 4.86 -5.52 0 4 0 42 236.315 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-1-[(2S)-2-(1-piperidyl)propyl]pyrrole-2,5-dione 3-methyl-1-[(2S)-2-(1-piperidyl)…

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) 1.43 6.76 -32.53 1 4 1 44 237.323 3 ↓
Hi High (pH 8-9.5) 1.43 4.6 -6.54 0 4 0 42 236.315 3 ↓

Parameters Provided:

ring.id = 14359
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 = 14359 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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