UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

32247937
32247937
32247938
32247938
39677916
39677916
39677917
39677917
39677918
39677918

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Popular Name: (2R)-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-phenyl-butanamide (2R)-N-[[(2R)-4-benzylmorpholin-…

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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) 3.63 7.76 -9.84 1 4 0 42 352.478 7 ↓
Lo Low (pH 4.5-6) 3.63 10.1 -47.77 2 4 1 43 353.486 7 ↓

Analogs

32247937
32247937
32247938
32247938
39677916
39677916
39677917
39677917
39677918
39677918

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-phenyl-butanamide (2S)-N-[[(2R)-4-benzylmorpholin-…

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) 3.63 7.72 -9.83 1 4 0 42 352.478 7 ↓
Lo Low (pH 4.5-6) 3.63 10.07 -47.97 2 4 1 43 353.486 7 ↓

Analogs

32247937
32247937
32247938
32247938
39677916
39677916
39677917
39677917
39677918
39677918

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-phenyl-butanamide (2R)-N-[[(2S)-4-benzylmorpholin-…

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) 3.63 7.3 -10.51 1 4 0 42 352.478 7 ↓
Lo Low (pH 4.5-6) 3.63 9.69 -52.44 2 4 1 43 353.486 7 ↓

Analogs

32247937
32247937
32247938
32247938
39677916
39677916
39677917
39677917
39677918
39677918

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-phenyl-butanamide (2S)-N-[[(2S)-4-benzylmorpholin-…

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) 3.63 7.78 -9.79 1 4 0 42 352.478 7 ↓
Lo Low (pH 4.5-6) 3.63 10.14 -47.64 2 4 1 43 353.486 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-hydroxyphenyl)acetamide N-[[(2R)-4-benzylmorpholin-2-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) 2.42 3.7 -12.3 2 5 0 62 340.423 6 ↓
Lo Low (pH 4.5-6) 2.42 5.96 -48.36 3 5 1 63 341.431 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(2-hydroxyphenyl)acetamide N-[[(2S)-4-benzylmorpholin-2-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) 2.42 3.77 -11.89 2 5 0 62 340.423 6 ↓
Lo Low (pH 4.5-6) 2.42 6.03 -47.8 3 5 1 63 341.431 6 ↓

Parameters Provided:

ring.id = 103594
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 = 103594 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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