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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-aminocyclopropyl)-[(2R)-2-(2-methoxyethyl)morpholin-4-yl]methanone (1-aminocyclopropyl)-[(2R)-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) -0.40 0.46 -50.26 3 5 1 66 229.3 4 ↓
Hi High (pH 8-9.5) -0.40 0.21 -7.68 2 5 0 65 228.292 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-aminocyclopropyl)-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]methanone (1-aminocyclopropyl)-[(2S)-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) -0.40 0.46 -50.44 3 5 1 66 229.3 4 ↓
Hi High (pH 8-9.5) -0.40 0.21 -8.09 2 5 0 65 228.292 4 ↓

Analogs

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Popular Name: cyclopropyl-(3,3-dimethylmorpholin-4-yl)methanone cyclopropyl-(3,3-dimethylmorphol…

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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) 1.19 4.06 -6.92 0 3 0 30 183.251 1 ↓

Analogs

37833120
37833120
37833121
37833121
37833122
37833122
37833119
37833119
34926381
34926381

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(3,3-dimethylmorpholine-4-carbonyl)cyclopropanecarboxylic (1S,2R)-2-(3,3-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) 0.67 4.61 -53.64 0 5 -1 70 226.252 2 ↓
Lo Low (pH 4.5-6) 0.67 2.98 -12.36 1 5 0 67 227.26 2 ↓

Analogs

37833120
37833120
37833121
37833121
37833122
37833122
37833119
37833119
34926381
34926381

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(3,3-dimethylmorpholine-4-carbonyl)cyclopropanecarboxylic (1S,2S)-2-(3,3-dimethylmorpholin…

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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) 0.67 4.69 -47.77 0 5 -1 70 226.252 2 ↓
Lo Low (pH 4.5-6) 0.67 2.71 -8.71 1 5 0 67 227.26 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(3,3-dimethylmorpholine-4-carbonyl)cyclopropanecarboxylic (1R,2R)-2-(3,3-dimethylmorpholin…

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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) 0.67 4.7 -47.88 0 5 -1 70 226.252 2 ↓
Lo Low (pH 4.5-6) 0.67 2.7 -8.64 1 5 0 67 227.26 2 ↓

Analogs

37833120
37833120
37833121
37833121
37833122
37833122
37833119
37833119
34926381
34926381

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(3,3-dimethylmorpholine-4-carbonyl)cyclopropanecarboxylic (1R,2S)-2-(3,3-dimethylmorpholin…

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) 0.67 4.61 -54.3 0 5 -1 70 226.252 2 ↓
Lo Low (pH 4.5-6) 0.67 2.96 -12.78 1 5 0 67 227.26 2 ↓

Parameters Provided:

ring.id = 25958
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 = 25958 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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