UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-isopropyl-4,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-ca (4R)-N-isopropyl-4,6-dimethyl-N-…

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) 0.46 4.6 -37.14 3 7 1 81 306.39 4 ↓
Mid Mid (pH 6-8) 0.46 3.49 -16.49 2 7 0 79 305.382 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-isopropyl-4,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-ca (4S)-N-isopropyl-4,6-dimethyl-N-…

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) 0.46 4.9 -36.85 3 7 1 81 306.39 4 ↓
Mid Mid (pH 6-8) 0.46 3.51 -17.24 2 7 0 79 305.382 4 ↓

Parameters Provided:

ring.id = 610487
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 = 610487 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=610487&filter.purchasability=annotated

Embed Link to Results