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

Analogs

41545019
41545019
41544789
41544789
41544792
41544792
33515419
33515419

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(1,3-benzodioxole-5-carbonyl)-2-(2-furyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2S)-3-(1,3-benzodioxole-5-carbo…

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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 8.03 -66.88 1 8 0 96 424.453 6 ↓
Lo Low (pH 4.5-6) 2.46 7.28 -49.39 2 8 1 94 425.461 6 ↓

Analogs

41544789
41544789
41544792
41544792
41545016
41545016

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(1,3-benzodioxole-5-carbonyl)-2-(2-furyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2R)-3-(1,3-benzodioxole-5-carbo…

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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 8.08 -71.71 1 8 0 96 424.453 6 ↓
Lo Low (pH 4.5-6) 2.46 7.33 -55.35 2 8 1 94 425.461 6 ↓

Analogs

41545025
41545025
41544795
41544795
41544798
41544798
33515421
33515421

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-2-(5-methyl-2-furyl)-1-[2-(1-piperidyl)ethyl]-2H-pyrr (2S)-3-(1,3-benzodioxole-5-carbo…

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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) 2.69 8.87 -67.23 1 8 0 96 438.48 6 ↓
Lo Low (pH 4.5-6) 2.69 8.12 -49.21 2 8 1 94 439.488 6 ↓

Analogs

41544795
41544795
41544798
41544798
41545022
41545022

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-2-(5-methyl-2-furyl)-1-[2-(1-piperidyl)ethyl]-2H-pyrr (2R)-3-(1,3-benzodioxole-5-carbo…

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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) 2.69 8.9 -72.21 1 8 0 96 438.48 6 ↓
Lo Low (pH 4.5-6) 2.69 8.16 -55.42 2 8 1 94 439.488 6 ↓

Parameters Provided:

ring.id = 546793
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 = 546793 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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