UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37832957
37832957
37832958
37832958
37832959
37832959
37832960
37832960
37832991
37832991

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[(2R,5R)-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) 2.24 8.6 -59.48 0 5 -1 70 296.387 4 ↓
Lo Low (pH 4.5-6) 2.24 6.45 -12.97 1 5 0 67 297.395 4 ↓

Analogs

37832957
37832957
37832958
37832958
37832959
37832959
37832960
37832960
37832991
37832991

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[(2R,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) 2.24 7.93 -58.2 0 5 -1 70 296.387 4 ↓
Lo Low (pH 4.5-6) 2.24 6.11 -8.48 1 5 0 67 297.395 4 ↓

Analogs

37832957
37832957
37832958
37832958
37832959
37832959
37832960
37832960
37832991
37832991

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[(2S,5R)-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) 2.24 7.9 -58.36 0 5 -1 70 296.387 4 ↓
Lo Low (pH 4.5-6) 2.24 5.83 -12.26 1 5 0 67 297.395 4 ↓

Analogs

37832957
37832957
37832958
37832958
37832959
37832959
37832960
37832960
37832991
37832991

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-2-oxo-ethyl]cyclohexanecarboxylic 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) 2.24 8.6 -59.2 0 5 -1 70 296.387 4 ↓
Lo Low (pH 4.5-6) 2.24 6.45 -12.99 1 5 0 67 297.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,2S)-2-aminocyclohexyl]-1-morpholino-ethanone 2-[(1S,2S)-2-aminocyclohexyl]-1-…

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) 0.43 2.37 -54.48 3 4 1 57 227.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,2R)-2-aminocyclohexyl]-1-morpholino-ethanone 2-[(1S,2R)-2-aminocyclohexyl]-1-…

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) 0.43 2.58 -55.67 3 4 1 57 227.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,2S)-2-aminocyclohexyl]-1-morpholino-ethanone 2-[(1R,2S)-2-aminocyclohexyl]-1-…

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) 0.43 2.57 -55.28 3 4 1 57 227.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,2R)-2-aminocyclohexyl]-1-morpholino-ethanone 2-[(1R,2R)-2-aminocyclohexyl]-1-…

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) 0.43 2.74 -55.82 3 4 1 57 227.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminocyclohexyl)-1-morpholino-ethanone 2-(4-aminocyclohexyl)-1-morpholi…

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) 0.14 2.55 -46.48 3 4 1 57 227.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,3R)-3-aminocyclohexyl]-1-morpholino-ethanone 2-[(1S,3R)-3-aminocyclohexyl]-1-…

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) 0.38 2.54 -51.6 3 4 1 57 227.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,3R)-3-aminocyclohexyl]-1-morpholino-ethanone 2-[(1R,3R)-3-aminocyclohexyl]-1-…

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) 0.38 2.71 -46.49 3 4 1 57 227.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,3S)-3-aminocyclohexyl]-1-morpholino-ethanone 2-[(1S,3S)-3-aminocyclohexyl]-1-…

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) 0.38 2.27 -55.56 3 4 1 57 227.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,3S)-3-aminocyclohexyl]-1-morpholino-ethanone 2-[(1R,3S)-3-aminocyclohexyl]-1-…

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) 0.38 2.54 -51.79 3 4 1 57 227.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.82 7.33 -57.9 0 5 -1 70 282.36 3 ↓
Lo Low (pH 4.5-6) 1.82 5.36 -12.64 1 5 0 67 283.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 2.10 7.24 -48.33 0 5 -1 70 296.387 4 ↓
Lo Low (pH 4.5-6) 2.10 5.25 -5.37 1 5 0 67 297.395 4 ↓

Parameters Provided:

ring.id = 64536
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 = 64536 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=64536&filter.purchasability=annotated

Embed Link to Results