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

Analogs

20614697
20614697
20614701
20614701

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-pyrazole-4-carboxylic 5-[(2R,6R)-2,6-dimethylmorpholin…

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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) 0.14 2.97 -54.65 0 7 -1 87 266.277 2 ↓

Analogs

20614701
20614701
20614695
20614695

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-pyrazole-4-carboxylic 5-[(2R,6S)-2,6-dimethylmorpholin…

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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) 0.14 2.81 -56.15 0 7 -1 87 266.277 2 ↓

Analogs

20614695
20614695
20614697
20614697

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-pyrazole-4-carboxylic 5-[(2S,6S)-2,6-dimethylmorpholin…

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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) 0.14 2.99 -54.67 0 7 -1 87 266.277 2 ↓

Analogs

16970662
16970662
42453230
42453230
43702654
43702654
43702655
43702655

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-2,6-dimethylmorpholino]-(2-methylpyrazol-3-yl)methanone [(2R,6R)-2,6-dimethylmorpholino]…

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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) 0.64 0.03 -8.45 0 5 0 47 223.276 1 ↓

Analogs

16970662
16970662
42453230
42453230
43702654
43702654
43702655
43702655

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6S)-2,6-dimethylmorpholino]-(2-methylpyrazol-3-yl)methanone [(2S,6S)-2,6-dimethylmorpholino]…

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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) 0.64 0.01 -8.06 0 5 0 47 223.276 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyl-1H-pyrazol-5-yl)(morpholin-4-yl)methanone (3-methyl-1H-pyrazol-5-yl)(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) 0.06 1.43 -8.32 1 5 0 58 195.222 1 ↓

Analogs

40770620
40770620
40770622
40770622

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-ethyl-5-methyl-pyrazol-3-yl)methanone [(2S,6R)-2,6-dimethylmorpholin-4…

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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) 1.23 4.71 -8.07 0 5 0 47 251.33 2 ↓

Analogs

40770622
40770622
40770618
40770618

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-ethyl-5-methyl-pyrazol-3-yl)methanone [(2R,6R)-2,6-dimethylmorpholin-4…

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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) 1.23 4.89 -8.26 0 5 0 47 251.33 2 ↓

Analogs

40770618
40770618
40770620
40770620

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2-ethyl-5-methyl-pyrazol-3-yl)methanone [(2S,6S)-2,6-dimethylmorpholin-4…

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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) 1.23 4.84 -8.1 0 5 0 47 251.33 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chloro-2-ethyl-5-methyl-pyrazol-3-yl)-morpholino-methanone (4-chloro-2-ethyl-5-methyl-pyraz…

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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) 1.11 3.82 -8.76 0 5 0 47 257.721 2 ↓

Analogs

40770984
40770984
40770986
40770986

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chloro-2-ethyl-5-methyl-pyrazol-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (4-chloro-2-ethyl-5-methyl-pyraz…

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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) 1.84 5.37 -8.1 0 5 0 47 285.775 2 ↓

Analogs

40770986
40770986
40770982
40770982

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chloro-2-ethyl-5-methyl-pyrazol-3-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone (4-chloro-2-ethyl-5-methyl-pyraz…

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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) 1.84 5.33 -7.6 0 5 0 47 285.775 2 ↓

Analogs

40770982
40770982
40770984
40770984

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chloro-2-ethyl-5-methyl-pyrazol-3-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (4-chloro-2-ethyl-5-methyl-pyraz…

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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) 1.84 5.39 -7.84 0 5 0 47 285.775 2 ↓

Parameters Provided:

ring.id = 73955
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 = 73955 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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