UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37803530
37803530
37803531
37803531
37803532
37803532
37803533
37803533

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Popular Name: (2R)-1-(2-methylpropanoyl)-N-(2-morpholinoethyl)pyrrolidine-2-carboxamide (2R)-1-(2-methylpropanoyl)-N-(2-…

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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) 0.16 2.3 -17.46 1 6 0 62 297.399 5 ↓
Mid Mid (pH 6-8) 0.16 4.85 -49.42 2 6 1 63 298.407 5 ↓

Analogs

37803530
37803530
37803531
37803531
37803532
37803532
37803533
37803533

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Popular Name: (2S)-1-(2-methylpropanoyl)-N-(2-morpholinoethyl)pyrrolidine-2-carboxamide (2S)-1-(2-methylpropanoyl)-N-(2-…

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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) 0.16 3.07 -17.82 1 6 0 62 297.399 5 ↓
Mid Mid (pH 6-8) 0.16 5.11 -49.31 2 6 1 63 298.407 5 ↓

Analogs

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Popular Name: (2R)-N-(2-cyanoethyl)-N-(2-morpholinoethyl)pyrrolidine-2-carboxamide (2R)-N-(2-cyanoethyl)-N-(2-morph…

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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) -0.83 2.68 -48.16 2 6 1 73 281.38 6 ↓
Mid Mid (pH 6-8) -0.83 4.95 -103.72 3 6 2 74 282.388 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-cyanoethyl)-N-(2-morpholinoethyl)pyrrolidine-2-carboxamide (2S)-N-(2-cyanoethyl)-N-(2-morph…

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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) -0.83 2.65 -48.9 2 6 1 73 281.38 6 ↓
Mid Mid (pH 6-8) -0.83 4.89 -121.63 3 6 2 74 282.388 6 ↓

Analogs

37008757
37008757
37008758
37008758
37008759
37008759
37008760
37008760
20434360
20434360

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Popular Name: (2S,4S)-N-(2-cyanoethyl)-4-hydroxy-N-(2-morpholinoethyl)pyrrolidine-2-carboxamide (2S,4S)-N-(2-cyanoethyl)-4-hydro…

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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) -1.74 -0.72 -52.83 3 7 1 93 297.379 6 ↓
Mid Mid (pH 6-8) -1.74 1.55 -107.3 4 7 2 95 298.387 6 ↓

Analogs

37008757
37008757
37008758
37008758
37008759
37008759
37008760
37008760
20434360
20434360

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-(2-cyanoethyl)-4-hydroxy-N-(2-morpholinoethyl)pyrrolidine-2-carboxamide (2R,4S)-N-(2-cyanoethyl)-4-hydro…

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) -1.74 -0.81 -49.25 3 7 1 93 297.379 6 ↓
Mid Mid (pH 6-8) -1.74 1.46 -106.97 4 7 2 95 298.387 6 ↓

Analogs

37008757
37008757
37008758
37008758
37008759
37008759
37008760
37008760
20434360
20434360

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-(2-cyanoethyl)-4-hydroxy-N-(2-morpholinoethyl)pyrrolidine-2-carboxamide (2S,4R)-N-(2-cyanoethyl)-4-hydro…

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) -1.74 -0.66 -49.33 3 7 1 93 297.379 6 ↓
Mid Mid (pH 6-8) -1.74 1.61 -105.45 4 7 2 95 298.387 6 ↓

Analogs

37008757
37008757
37008758
37008758
37008759
37008759
37008760
37008760
20434360
20434360

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-(2-cyanoethyl)-4-hydroxy-N-(2-morpholinoethyl)pyrrolidine-2-carboxamide (2R,4R)-N-(2-cyanoethyl)-4-hydro…

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) -1.74 -0.68 -51.32 3 7 1 93 297.379 6 ↓
Mid Mid (pH 6-8) -1.74 1.59 -108.53 4 7 2 95 298.387 6 ↓

Parameters Provided:

ring.id = 157288
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 = 157288 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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