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

Analogs

41543877
41543877
41535702
41535702
41535707
41535707

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Popular Name: (2S)-2-(2-furyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H-pyr (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) 2.24 8.96 -60.53 2 7 0 94 411.502 6 ↓
Lo Low (pH 4.5-6) 2.24 8.2 -44.62 3 7 1 91 412.51 6 ↓

Analogs

41535702
41535702
41535707
41535707
41543874
41543874

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2-furyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H-pyr (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) 2.24 9.83 -72.09 2 7 0 94 411.502 6 ↓
Lo Low (pH 4.5-6) 2.24 8.94 -45.92 3 7 1 91 412.51 6 ↓

Analogs

41543883
41543883
41535712
41535712
41535718
41535718

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-2-(5-methyl-2-furyl)-1-[2-(1-piperidyl)ethyl]-3-(2,4,5-trimethyl-1H-pyrrole-3-carbony (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) 2.46 10.07 -55.07 2 7 0 94 425.529 6 ↓
Lo Low (pH 4.5-6) 2.46 9.32 -41.01 3 7 1 91 426.537 6 ↓

Analogs

41535712
41535712
41535718
41535718
41543880
41543880

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-hydroxy-2-(5-methyl-2-furyl)-1-[2-(1-piperidyl)ethyl]-3-(2,4,5-trimethyl-1H-pyrrole-3-carbony (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) 2.46 9.77 -60.76 2 7 0 94 425.529 6 ↓
Lo Low (pH 4.5-6) 2.46 9.01 -44.36 3 7 1 91 426.537 6 ↓

Parameters Provided:

ring.id = 546661
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 = 546661 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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