UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42458524
42458524
42458526
42458526
42459723
42459723
42459725
42459725

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Popular Name: (2R)-2-morpholinocyclohexanone (2R)-2-morpholinocyclohexanone

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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) 0.76 2.33 -6.29 0 3 0 30 183.251 1 ↓
Lo Low (pH 4.5-6) 0.76 4.39 -33.62 1 3 1 31 184.259 1 ↓

Analogs

42458524
42458524
42458526
42458526
42459723
42459723
42459725
42459725

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Popular Name: (2S)-2-morpholinocyclohexanone (2S)-2-morpholinocyclohexanone

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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) 0.76 2.18 -6.5 0 3 0 30 183.251 1 ↓
Lo Low (pH 4.5-6) 0.76 4.39 -33.62 1 3 1 31 184.259 1 ↓

Analogs

42463485
42463485
42463486
42463486
42464976
42464976
42464978
42464978
42467439
42467439

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Popular Name: (2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexanone (2R)-2-[(2S,6R)-2,6-dimethylmorp…

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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) 1.48 3.81 -6.36 0 3 0 30 211.305 1 ↓
Lo Low (pH 4.5-6) 1.48 5.89 -33.55 1 3 1 31 212.313 1 ↓

Analogs

42463485
42463485
42463486
42463486
42464976
42464976
42464978
42464978
42467439
42467439

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]cyclohexanone (2R)-2-[(2S,6S)-2,6-dimethylmorp…

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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) 1.48 4.1 -5.98 0 3 0 30 211.305 1 ↓
Lo Low (pH 4.5-6) 1.48 5.85 -33.34 1 3 1 31 212.313 1 ↓

Analogs

42463485
42463485
42463486
42463486
42464976
42464976
42464978
42464978
42467439
42467439

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]cyclohexanone (2R)-2-[(2R,6R)-2,6-dimethylmorp…

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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) 1.48 4.09 -5.63 0 3 0 30 211.305 1 ↓
Lo Low (pH 4.5-6) 1.48 5.87 -32.94 1 3 1 31 212.313 1 ↓

Analogs

42464976
42464976
42464978
42464978

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2R)-2-methylmorpholin-4-yl]cyclohexanone (2R)-2-[(2R)-2-methylmorpholin-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) 1.12 3.06 -6.27 0 3 0 30 197.278 1 ↓
Lo Low (pH 4.5-6) 1.12 5.15 -33.51 1 3 1 31 198.286 1 ↓

Analogs

42464976
42464976
42464978
42464978

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2S)-2-methylmorpholin-4-yl]cyclohexanone (2R)-2-[(2S)-2-methylmorpholin-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) 1.12 3.09 -6.38 0 3 0 30 197.278 1 ↓
Lo Low (pH 4.5-6) 1.12 5.14 -33.71 1 3 1 31 198.286 1 ↓

Analogs

42461301
42461301
42461304
42461304
42462580
42462580
42462582
42462582
42775405
42775405

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Popular Name: (2R)-2-[(3R)-3-methylmorpholin-4-yl]cyclohexanone (2R)-2-[(3R)-3-methylmorpholin-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) 1.09 2.91 -6.08 0 3 0 30 197.278 1 ↓
Lo Low (pH 4.5-6) 1.09 4.9 -30.78 1 3 1 31 198.286 1 ↓

Analogs

42461301
42461301
42461304
42461304
42462580
42462580
42462582
42462582
42775405
42775405

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3S)-3-methylmorpholin-4-yl]cyclohexanone (2R)-2-[(3S)-3-methylmorpholin-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) 1.09 2.79 -6.54 0 3 0 30 197.278 1 ↓
Lo Low (pH 4.5-6) 1.09 4.93 -33.52 1 3 1 31 198.286 1 ↓

Analogs

37338078
37338078
37338080
37338080
37340061
37340061
37340062
37340062
37338102
37338102

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Popular Name: (2R)-2-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]cyclohexanone (2R)-2-[(2R,5R)-5-ethyl-2-methyl…

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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) 1.99 4.53 -5.23 0 3 0 30 225.332 2 ↓
Lo Low (pH 4.5-6) 1.99 6.23 -30.1 1 3 1 31 226.34 2 ↓

Analogs

37338078
37338078
37338080
37338080
37340061
37340061
37340062
37340062
37338102
37338102

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]cyclohexanone (2R)-2-[(2R,5S)-5-ethyl-2-methyl…

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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) 1.99 4.18 -6.56 0 3 0 30 225.332 2 ↓
Lo Low (pH 4.5-6) 1.99 6.31 -34.01 1 3 1 31 226.34 2 ↓

Analogs

37338078
37338078
37338080
37338080
37340061
37340061
37340062
37340062
37338102
37338102

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]cyclohexanone (2R)-2-[(2S,5R)-5-ethyl-2-methyl…

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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) 1.99 4.26 -5.88 0 3 0 30 225.332 2 ↓
Lo Low (pH 4.5-6) 1.99 6.26 -30.46 1 3 1 31 226.34 2 ↓

Analogs

37338078
37338078
37338080
37338080
37340061
37340061
37340062
37340062
37338102
37338102

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]cyclohexanone (2R)-2-[(2S,5S)-5-ethyl-2-methyl…

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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) 1.99 4.45 -6.35 0 3 0 30 225.332 2 ↓
Lo Low (pH 4.5-6) 1.99 6.27 -32.85 1 3 1 31 226.34 2 ↓

Analogs

37337724
37337724
37337726
37337726
37340061
37340061
37340062
37340062

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Popular Name: (2R)-2-(3,3-dimethylmorpholin-4-yl)cyclohexanone (2R)-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) 1.57 3.37 -5.52 0 3 0 30 211.305 1 ↓
Lo Low (pH 4.5-6) 1.57 5.24 -30.01 1 3 1 31 212.313 1 ↓

Analogs

37337724
37337724
37337726
37337726
37340061
37340061
37340062
37340062

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3,3-dimethylmorpholin-4-yl)cyclohexanone (2S)-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) 1.57 3.37 -5.49 0 3 0 30 211.305 1 ↓
Lo Low (pH 4.5-6) 1.57 5.21 -29.92 1 3 1 31 212.313 1 ↓

Parameters Provided:

ring.id = 567583
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 = 567583 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=567583&filter.purchasability=annotated

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