UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37862122
37862122
37862123
37862123
37862159
37862159
37862160
37862160

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-hydroxyethyl)acetamide N-cyclopropyl-2-[(3R)-1,1-dioxot…

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 0.42 -18.5 1 5 0 75 261.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-hydroxyethyl)acetamide N-cyclopropyl-2-[(3S)-1,1-dioxot…

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 0.41 -17.35 1 5 0 75 261.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-2-aminocyclopropyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide N-[(1R,2S)-2-aminocyclopropyl]-2…

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) -0.90 -1.6 -65.66 4 5 1 91 233.313 3 ↓
Mid Mid (pH 6-8) -0.90 -1.94 -18.33 3 5 0 89 232.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-2-aminocyclopropyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide N-[(1R,2S)-2-aminocyclopropyl]-2…

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) -0.90 -1.61 -63.88 4 5 1 91 233.313 3 ↓
Mid Mid (pH 6-8) -0.90 -1.96 -17.19 3 5 0 89 232.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-aminocyclopropyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide N-[(1S,2S)-2-aminocyclopropyl]-2…

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) -0.90 -1.83 -59.91 4 5 1 91 233.313 3 ↓
Mid Mid (pH 6-8) -0.90 -2.15 -20.16 3 5 0 89 232.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-aminocyclopropyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide N-[(1S,2S)-2-aminocyclopropyl]-2…

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) -0.90 -1.85 -59.41 4 5 1 91 233.313 3 ↓
Mid Mid (pH 6-8) -0.90 -2.17 -19.07 3 5 0 89 232.305 3 ↓

Parameters Provided:

ring.id = 118254
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 = 118254 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=118254&filter.purchasability=annotated

Embed Link to Results