UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11814344
11814344
39267147
39267147

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-indan-2-yl-3-oxo-piperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide 2-[(2R)-1-indan-2-yl-3-oxo-piper…

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) 3.09 7.15 -45.54 3 6 1 72 394.495 6 ↓
Mid Mid (pH 6-8) 3.27 4.66 -42.49 2 6 0 78 393.487 6 ↓

Analogs

11814343
11814343

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-indan-2-yl-3-oxo-piperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide 2-[(2S)-1-indan-2-yl-3-oxo-piper…

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) 3.09 7.13 -44.59 3 6 1 72 394.495 6 ↓
Mid Mid (pH 6-8) 3.27 4.66 -40.99 2 6 0 78 393.487 6 ↓

Analogs

11843867
11843867

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-(2-hydroxyethyl)-2-[(2R)-1-indan-2-yl-3-oxo-piperazin-2-yl]acetamide N-benzyl-N-(2-hydroxyethyl)-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) 2.69 -3.17 -40.84 3 6 1 74 408.522 7 ↓

Analogs

11843866
11843866

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-(2-hydroxyethyl)-2-[(2S)-1-indan-2-yl-3-oxo-piperazin-2-yl]acetamide N-benzyl-N-(2-hydroxyethyl)-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) 2.69 -3.02 -40.4 3 6 1 74 408.522 7 ↓

Parameters Provided:

ring.id = 47310
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 = 47310 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=47310&filter.purchasability=annotated

Embed Link to Results