UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13012736
13012736
13012737
13012737
13012738
13012738

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylene-3-oxo-isoindolin-2-yl)acetamide N-[(1S,2R)-2-methylcyclohexyl]-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) 3.18 8.86 -17.29 1 4 0 51 298.386 3 ↓

Analogs

13012737
13012737
13012738
13012738
13012735
13012735

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-methylcyclohexyl]-2-(1-methylene-3-oxo-isoindolin-2-yl)acetamide N-[(1S,2S)-2-methylcyclohexyl]-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) 3.18 8.47 -17.72 1 4 0 51 298.386 3 ↓

Analogs

13012738
13012738
13012735
13012735
13012736
13012736

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-methylcyclohexyl]-2-(1-methylene-3-oxo-isoindolin-2-yl)acetamide N-[(1R,2R)-2-methylcyclohexyl]-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) 3.18 8.47 -17.71 1 4 0 51 298.386 3 ↓

Analogs

13012735
13012735
13012736
13012736
13012737
13012737

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-2-methylcyclohexyl]-2-(1-methylene-3-oxo-isoindolin-2-yl)acetamide N-[(1R,2S)-2-methylcyclohexyl]-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) 3.18 8.86 -17 1 4 0 51 298.386 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-methylene-3-oxo-isoindolin-2-yl)-N-(4-propylcyclohexyl)acetamide 2-(1-methylene-3-oxo-isoindolin-…

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) 3.96 10.04 -17.43 1 4 0 51 326.44 5 ↓

Parameters Provided:

ring.id = 112695
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 = 112695 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=112695&filter.purchasability=annotated

Embed Link to Results