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

Analogs

39848089
39848089
39848090
39848090

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Popular Name: (5S)-3-hydroxy-5-(2-methoxyphenyl)-1-(3-morpholinopropyl)-4-(pyridine-4-carbonyl)-5H-pyrrol-2-one (5S)-3-hydroxy-5-(2-methoxypheny…

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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) 1.24 5.5 -59.91 0 8 -1 95 436.488 8 ↓
Mid Mid (pH 6-8) 1.24 7.84 -75.48 1 8 0 96 437.496 8 ↓

Analogs

39848089
39848089
39848090
39848090

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-hydroxy-5-(2-methoxyphenyl)-1-(3-morpholinopropyl)-4-(pyridine-4-carbonyl)-5H-pyrrol-2-one (5R)-3-hydroxy-5-(2-methoxypheny…

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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) 1.24 5.51 -57.41 0 8 -1 95 436.488 8 ↓
Mid Mid (pH 6-8) 1.24 7.83 -75.24 1 8 0 96 437.496 8 ↓

Analogs

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Popular Name: (5S)-5-(2,3-dimethoxyphenyl)-3-hydroxy-1-(3-morpholinopropyl)-4-(pyridine-4-carbonyl)-5H-pyrrol-2-on (5S)-5-(2,3-dimethoxyphenyl)-3-h…

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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) 1.06 4.6 -56.02 0 9 -1 104 466.514 9 ↓
Mid Mid (pH 6-8) 1.06 6.86 -74.01 1 9 0 105 467.522 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(2,3-dimethoxyphenyl)-3-hydroxy-1-(3-morpholinopropyl)-4-(pyridine-4-carbonyl)-5H-pyrrol-2-on (5R)-5-(2,3-dimethoxyphenyl)-3-h…

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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) 1.06 4.75 -55.77 0 9 -1 104 466.514 9 ↓
Mid Mid (pH 6-8) 1.06 7.08 -75.28 1 9 0 105 467.522 9 ↓

Analogs

33596044
33596044
33596045
33596045
33596047
33596047

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Popular Name: (5R)-5-(3-chlorophenyl)-3-hydroxy-1-(3-morpholinopropyl)-4-(pyridine-4-carbonyl)-5H-pyrrol-2-one (5R)-5-(3-chlorophenyl)-3-hydrox…

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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) 1.89 6.66 -53.02 0 7 -1 86 440.907 7 ↓
Mid Mid (pH 6-8) 1.89 8.99 -74.09 1 7 0 87 441.915 7 ↓

Analogs

33596044
33596044
33596045
33596045
33596047
33596047
6314187
6314187
6314202
6314202

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(3-chlorophenyl)-3-hydroxy-1-(3-morpholinopropyl)-4-(pyridine-4-carbonyl)-5H-pyrrol-2-one (5S)-5-(3-chlorophenyl)-3-hydrox…

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) 1.89 6.5 -57.56 0 7 -1 86 440.907 7 ↓
Mid Mid (pH 6-8) 1.89 8.83 -77.27 1 7 0 87 441.915 7 ↓

Parameters Provided:

ring.id = 71610
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 = 71610 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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