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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

12538946
12538946

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2,5-dimethyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-N-(4-morpholinosulfonylphenyl)-6H- 5-[2,5-dimethyl-1-[[(2S)-tetrahy…

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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) 2.49 8.16 -50.75 0 9 -1 100 516.669 7 ↓
Mid Mid (pH 6-8) 2.49 8.68 -18.42 1 9 0 98 517.677 7 ↓

Analogs

12538943
12538943

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-N-(4-morpholinosulfonylphenyl)-6H- 5-[2,5-dimethyl-1-[[(2R)-tetrahy…

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) 2.49 8.15 -47.64 0 9 -1 100 516.669 7 ↓
Mid Mid (pH 6-8) 2.49 8.67 -16.73 1 9 0 98 517.677 7 ↓

Parameters Provided:

ring.id = 105878
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 = 105878 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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