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

Analogs

41537993
41537993
6554136
6554136
6554160
6554160
19883761
19883761

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

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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) 2.47 8.56 -65.67 1 6 0 78 386.473 6 ↓
Lo Low (pH 4.5-6) 2.47 7.81 -44.76 2 6 1 75 387.481 6 ↓

Analogs

6554136
6554136
6554160
6554160
41537989
41537989

Draw Identity 99% 90% 80% 70%

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

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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) 2.47 8.62 -70.79 1 6 0 78 386.473 6 ↓
Lo Low (pH 4.5-6) 2.47 7.87 -50.06 2 6 1 75 387.481 6 ↓

Analogs

41538005
41538005
6420835
6420835
6420844
6420844
19884208
19884208

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Popular Name: (2S)-4-hydroxy-2-(5-methyl-2-furyl)-1-[2-(1-piperidyl)ethyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-on (2S)-4-hydroxy-2-(5-methyl-2-fur…

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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 9.38 -66.13 1 6 0 78 400.5 6 ↓
Lo Low (pH 4.5-6) 2.69 8.63 -44.6 2 6 1 75 401.508 6 ↓

Analogs

6553855
6553855
6553868
6553868
19884208
19884208

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-hydroxy-2-(5-methyl-2-furyl)-1-[2-(1-piperidyl)ethyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-on (2R)-4-hydroxy-2-(5-methyl-2-fur…

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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 9.44 -71.35 1 6 0 78 400.5 6 ↓
Lo Low (pH 4.5-6) 2.69 8.69 -50.16 2 6 1 75 401.508 6 ↓

Parameters Provided:

ring.id = 546000
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 = 546000 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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