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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-4-methoxy-N-methyl-pyrrolidine-2-carboxamide (2S,4S)-N-[(3,5-dimethylisoxazol…

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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) -0.21 2.93 -47.4 2 6 1 72 268.337 4 ↓
Hi High (pH 8-9.5) -0.21 1.74 -15.77 1 6 0 68 267.329 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-4-methoxy-N-methyl-pyrrolidine-2-carboxamide (2R,4S)-N-[(3,5-dimethylisoxazol…

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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) -0.21 3.02 -42.96 2 6 1 72 268.337 4 ↓
Hi High (pH 8-9.5) -0.21 1.62 -11.43 1 6 0 68 267.329 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-4-methoxy-N-methyl-pyrrolidine-2-carboxamide (2S,4R)-N-[(3,5-dimethylisoxazol…

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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) -0.21 2.95 -44.93 2 6 1 72 268.337 4 ↓
Hi High (pH 8-9.5) -0.21 1.7 -12.55 1 6 0 68 267.329 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-4-methoxy-N-methyl-pyrrolidine-2-carboxamide (2R,4R)-N-[(3,5-dimethylisoxazol…

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) -0.21 3.04 -44.84 2 6 1 72 268.337 4 ↓
Hi High (pH 8-9.5) -0.21 1.69 -12.72 1 6 0 68 267.329 4 ↓

Analogs

45096697
45096697
45096698
45096698
49238629
49238629
49238631
49238631
56907190
56907190

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-N-[(3,5-dimethylisoxazol-4-…

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) 0.09 3.95 -44.23 2 5 1 63 238.311 3 ↓

Analogs

45096697
45096697
45096698
45096698
49238629
49238629
49238631
49238631
56907190
56907190

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-N-[(3,5-dimethylisoxazol-4-…

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) 0.09 3.93 -42.27 2 5 1 63 238.311 3 ↓

Analogs

45096697
45096697
45096698
45096698
49238629
49238629
49238631
49238631
56907190
56907190

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-4-hydroxy-N-methyl-pyrrolidine-2-carboxamide (2S,4S)-N-[(3,5-dimethylisoxazol…

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) -0.82 0.56 -48.54 3 6 1 83 254.31 3 ↓

Analogs

45096697
45096697
45096698
45096698
49238629
49238629
49238631
49238631
56907190
56907190

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-4-hydroxy-N-methyl-pyrrolidine-2-carboxamide (2R,4S)-N-[(3,5-dimethylisoxazol…

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) -0.82 0.65 -44.26 3 6 1 83 254.31 3 ↓

Analogs

45096697
45096697
45096698
45096698
49238629
49238629
49238631
49238631
56907190
56907190

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-4-hydroxy-N-methyl-pyrrolidine-2-carboxamide (2S,4R)-N-[(3,5-dimethylisoxazol…

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) -0.82 0.61 -44.24 3 6 1 83 254.31 3 ↓

Analogs

45096697
45096697
45096698
45096698
49238629
49238629
49238631
49238631
56907190
56907190

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-4-hydroxy-N-methyl-pyrrolidine-2-carboxamide (2R,4R)-N-[(3,5-dimethylisoxazol…

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) -0.82 0.67 -46.02 3 6 1 83 254.31 3 ↓

Parameters Provided:

ring.id = 120686
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 = 120686 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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