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

Analogs

41543753
41543753
41535505
41535505
41535510
41535510
41543530
41543530

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2-(2-pyridyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H-p (2S)-4-hydroxy-1-[2-(1-piperidyl…

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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) 1.81 9.49 -60.71 2 7 0 94 422.529 6 ↓
Lo Low (pH 4.5-6) 1.81 9.83 -95.7 3 7 1 95 423.537 6 ↓

Analogs

41535505
41535505
41535510
41535510
41543530
41543530

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2-(2-pyridyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H-p (2R)-4-hydroxy-1-[2-(1-piperidyl…

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) 1.81 8.84 -67.71 2 7 0 94 422.529 6 ↓
Lo Low (pH 4.5-6) 1.81 9.5 -88.62 3 7 1 95 423.537 6 ↓

Parameters Provided:

ring.id = 546637
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 = 546637 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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