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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)-2-[(2R)-2-(dimethylaminomethyl)morpholin-4-yl]-N-[2-[(1R)-1-methylpropyl]pyrazol-3-yl]propanami (2R)-2-[(2R)-2-(dimethylaminomet…

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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) 1.15 5.57 -42.79 2 7 1 64 338.476 7 ↓
Hi High (pH 8-9.5) 1.15 3.13 -11.92 1 7 0 63 337.468 7 ↓

Analogs

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Popular Name: (2R)-2-[(2R)-2-(dimethylaminomethyl)morpholin-4-yl]-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]propanami (2R)-2-[(2R)-2-(dimethylaminomet…

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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) 1.15 5.57 -42.83 2 7 1 64 338.476 7 ↓
Hi High (pH 8-9.5) 1.15 3.13 -11.96 1 7 0 63 337.468 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2R)-2-(dimethylaminomethyl)morpholin-4-yl]-N-[2-[(1R)-1-methylpropyl]pyrazol-3-yl]propanami (2S)-2-[(2R)-2-(dimethylaminomet…

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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) 1.15 5.59 -37.52 2 7 1 64 338.476 7 ↓
Hi High (pH 8-9.5) 1.15 3.15 -11.87 1 7 0 63 337.468 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2R)-2-(dimethylaminomethyl)morpholin-4-yl]-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]propanami (2S)-2-[(2R)-2-(dimethylaminomet…

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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) 1.15 5.6 -37.53 2 7 1 64 338.476 7 ↓
Hi High (pH 8-9.5) 1.15 3.15 -11.88 1 7 0 63 337.468 7 ↓

Analogs

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Popular Name: 2-[(2R)-2-(dimethylaminomethyl)morpholin-4-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide 2-[(2R)-2-(dimethylaminomethyl)m…

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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) 0.17 3.63 -44.53 2 7 1 64 296.395 5 ↓
Hi High (pH 8-9.5) 0.17 1.04 -13.74 1 7 0 63 295.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2-(dimethylaminomethyl)morpholin-4-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide 2-[(2S)-2-(dimethylaminomethyl)m…

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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) 0.17 3.63 -44.52 2 7 1 64 296.395 5 ↓
Hi High (pH 8-9.5) 0.17 1.15 -13.79 1 7 0 63 295.387 5 ↓

Parameters Provided:

ring.id = 331393
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 = 331393 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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