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

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Popular Name: (2R)-N-(cyclopropylmethyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-ethyl-3-methyl-butanamide (2R)-N-(cyclopropylmethyl)-2-[(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) 2.62 6.87 -6.55 0 4 0 33 296.455 6 ↓
Lo Low (pH 4.5-6) 2.62 8.88 -33.86 1 4 1 34 297.463 6 ↓

Analogs

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Popular Name: (2S)-N-(cyclopropylmethyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-ethyl-3-methyl-butanamide (2S)-N-(cyclopropylmethyl)-2-[(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) 2.62 6.87 -7.18 0 4 0 33 296.455 6 ↓
Lo Low (pH 4.5-6) 2.62 8.73 -32.8 1 4 1 34 297.463 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(cyclopropylmethyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-ethyl-3-methyl-butanamide (2R)-N-(cyclopropylmethyl)-2-[(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) 2.62 7.49 -6.88 0 4 0 33 296.455 6 ↓
Lo Low (pH 4.5-6) 2.62 8.84 -33.98 1 4 1 34 297.463 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(cyclopropylmethyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-ethyl-3-methyl-butanamide (2S)-N-(cyclopropylmethyl)-2-[(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) 2.62 7.15 -6.53 0 4 0 33 296.455 6 ↓
Lo Low (pH 4.5-6) 2.62 8.69 -32.53 1 4 1 34 297.463 6 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-2-[(2R)-2-(dimethylaminomethyl)morpholin-4-yl]acetamide N-[(1S)-1-cyclopropylethyl]-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) 1.01 3.73 -38.05 2 5 1 46 270.397 6 ↓
Hi High (pH 8-9.5) 1.01 1.32 -8.76 1 5 0 45 269.389 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-2-[(2R)-2-(dimethylaminomethyl)morpholin-4-yl]acetamide N-[(1R)-1-cyclopropylethyl]-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) 1.01 3.73 -38.05 2 5 1 46 270.397 6 ↓
Hi High (pH 8-9.5) 1.01 1.32 -8.76 1 5 0 45 269.389 6 ↓

Analogs

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Popular Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[(2R)-2-(dimethylaminomethyl)morpholin-4-yl]acetamide N-[(1S)-1-cyano-1-cyclopropyl-et…

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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) 0.90 3.57 -42.93 2 6 1 70 295.407 6 ↓
Hi High (pH 8-9.5) 0.90 1.01 -14.11 1 6 0 69 294.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[(2R)-2-(dimethylaminomethyl)morpholin-4-yl]acetamide N-[(1R)-1-cyano-1-cyclopropyl-et…

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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) 0.90 3.49 -44.59 2 6 1 70 295.407 6 ↓
Hi High (pH 8-9.5) 0.90 0.92 -14.64 1 6 0 69 294.399 6 ↓

Parameters Provided:

ring.id = 331421
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 = 331421 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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