UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11818893
11818893

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(cyclohexylmethyl)-3-oxo-piperazin-2-yl]-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)acetamide 2-[(2S)-1-(cyclohexylmethyl)-3-o…

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) 2.67 -3.48 -49.56 3 8 1 93 399.519 7 ↓
Mid Mid (pH 6-8) 2.67 -3.26 -85.71 4 8 2 94 400.527 7 ↓

Analogs

11818892
11818892

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxo-piperazin-2-yl]-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)acetamide 2-[(2R)-1-(cyclohexylmethyl)-3-o…

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) 2.67 -3.08 -56.84 3 8 1 93 399.519 7 ↓
Mid Mid (pH 6-8) 2.67 -2.86 -87.58 4 8 2 94 400.527 7 ↓

Parameters Provided:

ring.id = 51770
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 = 51770 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=51770&filter.purchasability=annotated

Embed Link to Results