UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-piperidyl]-(5-ethyl-2-hydroxy-phenyl)methanone [4-[(2S,6R)-2,6-dimethylmorpholi…

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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) 2.98 6.47 -16.98 1 6 0 70 374.481 3 ↓
Hi High (pH 8-9.5) 2.98 7.29 -65.53 0 6 -1 73 373.473 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-piperidyl]-(5-ethyl-2-hydroxy-phenyl)methanone [4-[(2R,6R)-2,6-dimethylmorpholi…

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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) 2.98 6.48 -17.06 1 6 0 70 374.481 3 ↓
Hi High (pH 8-9.5) 2.98 7.28 -66.24 0 6 -1 73 373.473 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-piperidyl]-(5-ethyl-2-hydroxy-phenyl)methanone [4-[(2S,6S)-2,6-dimethylmorpholi…

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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) 2.98 6.62 -17.7 1 6 0 70 374.481 3 ↓
Hi High (pH 8-9.5) 2.98 7.44 -65.57 0 6 -1 73 373.473 3 ↓

Analogs

14248038
14248038
14248040
14248040
14159745
14159745
14159748
14159748

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Popular Name: [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(4-fluorobenzoyl)-4-piperidyl]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) 1.76 7.67 -16.49 0 5 0 50 348.418 2 ↓

Analogs

14248040
14248040
14248034
14248034
14159745
14159745

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Popular Name: [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(4-fluorobenzoyl)-4-piperidyl]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) 1.76 7.51 -16.85 0 5 0 50 348.418 2 ↓

Analogs

14248034
14248034
14248038
14248038

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(4-fluorobenzoyl)-4-piperidyl]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) 1.76 7.7 -12.84 0 5 0 50 348.418 2 ↓

Analogs

39677802
39677802
39677803
39677803
39677805
39677805
39677972
39677972
39677973
39677973

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Popular Name: methyl 3-{[4-(4-morpholinylcarbonyl)-1-piperidinyl]carbonyl}phenyl ether methyl 3-{[4-(4-morpholinylcarbo…

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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) 0.91 -1.41 -18.5 0 6 0 59 332.4 3 ↓

Analogs

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Popular Name: (2-chloro-4,5-difluoro-phenyl)-[4-(morpholine-4-carbonyl)-1-piperidyl]methanone (2-chloro-4,5-difluoro-phenyl)-[…

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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 6.67 -16.13 0 5 0 50 372.799 2 ↓

Analogs

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Popular Name: (3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)-1-piperidyl]methanone (3,4-dimethylphenyl)-[4-(morphol…

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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) 1.70 7.16 -18.47 0 5 0 50 330.428 2 ↓

Parameters Provided:

ring.id = 180419
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 = 180419 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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