UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37833012
37833012
37833013
37833013
37833014
37833014
37833015
37833015
43425297
43425297

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Popular Name: 1-[2-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[(2R,5R)-5-ethyl-2-methyl-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) 1.74 8.24 -59.22 0 5 -1 70 282.36 4 ↓
Lo Low (pH 4.5-6) 1.74 5.78 -13.53 1 5 0 67 283.368 4 ↓

Analogs

37833012
37833012
37833013
37833013
37833014
37833014
37833015
37833015
43425297
43425297

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[(2R,5S)-5-ethyl-2-methyl-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) 1.74 7.57 -58.07 0 5 -1 70 282.36 4 ↓
Lo Low (pH 4.5-6) 1.74 5.69 -9.05 1 5 0 67 283.368 4 ↓

Analogs

37833012
37833012
37833013
37833013
37833014
37833014
37833015
37833015
43425297
43425297

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[(2S,5R)-5-ethyl-2-methyl-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) 1.74 7.55 -58.21 0 5 -1 70 282.36 4 ↓
Lo Low (pH 4.5-6) 1.74 5.28 -12.91 1 5 0 67 283.368 4 ↓

Analogs

37833012
37833012
37833013
37833013
37833014
37833014
37833015
37833015
43425297
43425297

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[(2S,5S)-5-ethyl-2-methyl-m…

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) 1.74 8.24 -58.96 0 5 -1 70 282.36 4 ↓
Lo Low (pH 4.5-6) 1.74 5.77 -13.59 1 5 0 67 283.368 4 ↓

Analogs

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Popular Name: 2-cyclopentyl-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanone 2-cyclopentyl-1-[(2R,5R)-2,5-dim…

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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) 2.26 6.2 -7.22 0 3 0 30 225.332 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopentyl-1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]ethanone 2-cyclopentyl-1-[(2S,5R)-2,5-dim…

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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) 2.26 6.03 -6.37 0 3 0 30 225.332 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopentyl-1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]ethanone 2-cyclopentyl-1-[(2R,5S)-2,5-dim…

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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) 2.26 6.04 -6.29 0 3 0 30 225.332 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone 2-cyclopentyl-1-[(2S,5S)-2,5-dim…

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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) 2.26 6.2 -7.23 0 3 0 30 225.332 2 ↓

Analogs

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Popular Name: (2S)-2-cyclopentyl-1-morpholino-propan-1-one (2S)-2-cyclopentyl-1-morpholino-…

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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) 2.04 5 -7.74 0 3 0 30 211.305 2 ↓

Analogs

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Popular Name: (2R)-2-cyclopentyl-1-morpholino-propan-1-one (2R)-2-cyclopentyl-1-morpholino-…

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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) 2.04 4.96 -7.69 0 3 0 30 211.305 2 ↓

Analogs

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Popular Name: 1-[2-(3,3-dimethylmorpholin-4-yl)-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-(3,3-dimethylmorpholin-4-yl…

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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) 1.32 6.88 -58.61 0 5 -1 70 268.333 3 ↓
Lo Low (pH 4.5-6) 1.32 4.54 -13.11 1 5 0 67 269.341 3 ↓

Analogs

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Popular Name: 2-[1-[2-(3,3-dimethylmorpholin-4-yl)-2-oxo-ethyl]cyclopentyl]acetic 2-[1-[2-(3,3-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) 1.59 6.81 -48.18 0 5 -1 70 282.36 4 ↓

Parameters Provided:

ring.id = 64533
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 = 64533 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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