UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[(3-isopropyl-5-methoxy-1-methyl-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin (6R)-N-[(3-isopropyl-5-methoxy-1…

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) 1.42 6.41 -104.76 3 6 2 63 305.426 5 ↓
Hi High (pH 8-9.5) 1.42 5.25 -33.82 2 6 1 58 304.418 5 ↓
Hi High (pH 8-9.5) 1.42 4.78 -10.46 1 6 0 57 303.41 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[(3-isopropyl-5-methoxy-1-methyl-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin (6S)-N-[(3-isopropyl-5-methoxy-1…

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) 1.42 6.4 -104.3 3 6 2 63 305.426 5 ↓
Hi High (pH 8-9.5) 1.42 5.23 -32.9 2 6 1 58 304.418 5 ↓
Hi High (pH 8-9.5) 1.42 4.76 -10.18 1 6 0 57 303.41 5 ↓

Parameters Provided:

ring.id = 414895
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 = 414895 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=414895&filter.purchasability=annotated

Embed Link to Results