UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34968203
34968203
34968205
34968205

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-morpholino-2-(p-tolyl)ethyl]-2,2-diphenyl-acetamide N-[(2S)-2-morpholino-2-(p-tolyl)…

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) 4.51 10.69 -8.88 1 4 0 42 414.549 7 ↓
Lo Low (pH 4.5-6) 4.51 12.57 -41.32 2 4 1 43 415.557 7 ↓

Analogs

34968203
34968203
34968205
34968205

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-morpholino-2-(p-tolyl)ethyl]-2,2-diphenyl-acetamide N-[(2R)-2-morpholino-2-(p-tolyl)…

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) 4.51 10.16 -9.55 1 4 0 42 414.549 7 ↓
Lo Low (pH 4.5-6) 4.51 12.56 -40.94 2 4 1 43 415.557 7 ↓

Analogs

34935344
34935344

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(3-methoxyphenyl)-2-morpholino-ethyl]-2,2-diphenyl-acetamide N-[(2S)-2-(3-methoxyphenyl)-2-mo…

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) 4.10 9.32 -9.29 1 5 0 51 430.548 8 ↓
Lo Low (pH 4.5-6) 4.10 11.19 -42.07 2 5 1 52 431.556 8 ↓

Analogs

34935344
34935344

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(3-methoxyphenyl)-2-morpholino-ethyl]-2,2-diphenyl-acetamide N-[(2R)-2-(3-methoxyphenyl)-2-mo…

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) 4.10 8.76 -11.58 1 5 0 51 430.548 8 ↓
Lo Low (pH 4.5-6) 4.10 11.18 -41.71 2 5 1 52 431.556 8 ↓

Parameters Provided:

ring.id = 564034
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 = 564034 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=564034&filter.purchasability=annotated

Embed Link to Results