UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36216161
36216161
36216163
36216163
36216166
36216166

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Popular Name: (4S,5S)-5-(4-benzamidophenyl)-3-benzyl-N-(2-morpholinoethyl)-2-oxo-oxazolidine-4-carboxamide (4S,5S)-5-(4-benzamidophenyl)-3-…

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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) 2.89 8.9 -22.98 2 9 0 100 528.609 9 ↓
Mid Mid (pH 6-8) 2.89 11.17 -65.31 3 9 1 101 529.617 9 ↓

Analogs

36216163
36216163
36216166
36216166
36216160
36216160

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-5-(4-benzamidophenyl)-3-benzyl-N-(2-morpholinoethyl)-2-oxo-oxazolidine-4-carboxamide (4R,5S)-5-(4-benzamidophenyl)-3-…

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) 2.89 8.57 -21.12 2 9 0 100 528.609 9 ↓
Mid Mid (pH 6-8) 2.89 10.83 -66.01 3 9 1 101 529.617 9 ↓

Analogs

36216166
36216166
36216160
36216160
36216161
36216161

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-5-(4-benzamidophenyl)-3-benzyl-N-(2-morpholinoethyl)-2-oxo-oxazolidine-4-carboxamide (4S,5R)-5-(4-benzamidophenyl)-3-…

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) 2.89 8.74 -32.13 2 9 0 100 528.609 9 ↓
Mid Mid (pH 6-8) 2.89 11.01 -78.57 3 9 1 101 529.617 9 ↓

Analogs

36216160
36216160
36216161
36216161
36216163
36216163

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-5-(4-benzamidophenyl)-3-benzyl-N-(2-morpholinoethyl)-2-oxo-oxazolidine-4-carboxamide (4R,5R)-5-(4-benzamidophenyl)-3-…

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) 2.89 8.8 -34.05 2 9 0 100 528.609 9 ↓
Mid Mid (pH 6-8) 2.89 11.07 -77.38 3 9 1 101 529.617 9 ↓

Parameters Provided:

ring.id = 87313
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 = 87313 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=87313&filter.purchasability=annotated

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