UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(1R)-1-isopropyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxo-ethyl]-5,5-dimethyl-imidazol 1-[2-[(1R)-1-isopropyl-1,3,4,9-t…

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) 2.47 7.06 -14.32 2 7 0 86 382.464 3 ↓
Hi High (pH 8-9.5) 2.10 4.5 -51.4 1 7 -1 92 381.456 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(1S)-1-isopropyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxo-ethyl]-5,5-dimethyl-imidazol 1-[2-[(1S)-1-isopropyl-1,3,4,9-t…

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) 2.47 7.83 -15.95 2 7 0 86 382.464 3 ↓
Hi High (pH 8-9.5) 2.10 5.27 -54.22 1 7 -1 92 381.456 3 ↓

Parameters Provided:

ring.id = 406931
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 = 406931 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=406931&filter.purchasability=annotated

Embed Link to Results