UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39675386
39675386
39675387
39675387
39675388
39675388
39675389
39675389
39676582
39676582

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(4-pyridylmethyl)pyrrolidine-3-carboxamide (2S,3R)-1-butyl-2-(4-methoxyphen…

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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) 2.46 7.95 -17.74 1 6 0 72 381.476 8 ↓
Lo Low (pH 4.5-6) 2.46 8.41 -57.9 2 6 1 73 382.484 8 ↓

Analogs

39675386
39675386
39675387
39675387
39675388
39675388
39675389
39675389
39676582
39676582

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(4-pyridylmethyl)pyrrolidine-3-carboxamide (2R,3R)-1-butyl-2-(4-methoxyphen…

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) 2.46 7.94 -14.23 1 6 0 72 381.476 8 ↓
Lo Low (pH 4.5-6) 2.46 8.4 -48.04 2 6 1 73 382.484 8 ↓

Analogs

39675386
39675386
39675387
39675387
39675388
39675388
39675389
39675389
39676582
39676582

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(4-pyridylmethyl)pyrrolidine-3-carboxamide (2S,3S)-1-butyl-2-(4-methoxyphen…

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) 2.46 8.15 -14.32 1 6 0 72 381.476 8 ↓
Lo Low (pH 4.5-6) 2.46 8.61 -47.91 2 6 1 73 382.484 8 ↓

Analogs

39675386
39675386
39675387
39675387
39675388
39675388
39675389
39675389
39676582
39676582

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(4-pyridylmethyl)pyrrolidine-3-carboxamide (2R,3S)-1-butyl-2-(4-methoxyphen…

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) 2.46 7.58 -18.36 1 6 0 72 381.476 8 ↓
Lo Low (pH 4.5-6) 2.46 8.03 -52.44 2 6 1 73 382.484 8 ↓

Parameters Provided:

ring.id = 32504
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 = 32504 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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