UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2096482
2096482
2149789
2149789

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Popular Name: (2S,5S,11aS,11bR)-2-acetamido-N-(4-chlorophenyl)-3-oxo-1,2,5,6,11a,11b-hexahydroindolizino[8,7-b]ind (2S,5S,11aS,11bR)-2-acetamido-N-…

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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) 2.41 7.16 -21.11 3 7 0 94 436.899 3 ↓

Analogs

29346556
29346556

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Popular Name: (2S,5S,11aS,11bR)-2-acetamido-N-(4-fluorophenyl)-3-oxo-1,2,5,6,11a,11b-hexahydroindolizino[8,7-b]ind (2S,5S,11aS,11bR)-2-acetamido-N-…

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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) 1.90 6.71 -21.69 3 7 0 94 420.444 3 ↓

Analogs

2148696
2148696
16031535
16031535

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Popular Name: (2S,5S,11aS,11bR)-2-acetamido-N-(3-chloro-4-methoxy-phenyl)-3-oxo-1,2,5,6,11a,11b-hexahydroindolizin (2S,5S,11aS,11bR)-2-acetamido-N-…

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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) 2.39 6.49 -24.33 3 8 0 104 466.925 4 ↓

Parameters Provided:

ring.id = 603631
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 = 603631 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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