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

Analogs

40786635
40786635
40786637
40786637

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,5R,7S,8aR)-5-methyl-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-4-amino-5-chloro-2-met N-[(2S,5R,7S,8aR)-5-methyl-2-phe…

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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) 4.69 10.89 -43.58 4 5 1 69 414.957 4 ↓

Analogs

40786635
40786635
40786637
40786637

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,5S,7S,8aR)-5-methyl-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-4-amino-5-chloro-2-met N-[(2S,5S,7S,8aR)-5-methyl-2-phe…

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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) 4.69 10.51 -44.12 4 5 1 69 414.957 4 ↓

Analogs

40786635
40786635
40786637
40786637

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,5R,7R,8aR)-5-methyl-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-4-amino-5-chloro-2-met N-[(2S,5R,7R,8aR)-5-methyl-2-phe…

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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) 4.69 9.98 -42.92 4 5 1 69 414.957 4 ↓

Analogs

40786635
40786635
40786637
40786637

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,5S,7R,8aR)-5-methyl-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-4-amino-5-chloro-2-met N-[(2S,5S,7R,8aR)-5-methyl-2-phe…

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) 4.69 10.31 -42.46 4 5 1 69 414.957 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,7R,8aR)-2-(4-fluorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-4-amino-5-chloro-2-metho N-[(2S,7R,8aR)-2-(4-fluorophenyl…

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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) 4.52 9.84 -49.02 4 5 1 69 418.92 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,7S,8aR)-2-(4-fluorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-4-amino-5-chloro-2-metho N-[(2S,7S,8aR)-2-(4-fluorophenyl…

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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) 4.52 10.05 -50.82 4 5 1 69 418.92 4 ↓

Parameters Provided:

ring.id = 513909
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 = 513909 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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