UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36543718
36543718
8876838
8876838
8876854
8876854

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2S)-2-[[(2R)-3-hydroxy-2-isopropyl-2H-quinoxaline-1-carbonyl]amino]-3-phenyl-propanoyl]ami (2S)-2-[[(2S)-2-[[(2R)-3-hydroxy…

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) 1.45 7.03 -50.92 3 9 -1 134 511.624 10 ↓

Analogs

36543716
36543716
8876838
8876838
8876854
8876854

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2R)-2-[[(2R)-3-hydroxy-2-isopropyl-2H-quinoxaline-1-carbonyl]amino]-3-phenyl-propanoyl]ami (2S)-2-[[(2R)-2-[[(2R)-3-hydroxy…

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) 1.45 7.07 -54.11 3 9 -1 134 511.624 10 ↓

Analogs

38570888
38570888
16027389
16027389
16027391
16027391

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2S)-2-[[(2S)-2-isopropyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenyl-propanoyl (2S)-2-[[(2S)-2-[[(2S)-2-isoprop…

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) 0.99 5.68 -52.46 3 9 -1 134 451.503 7 ↓
Ref Reference (pH 7) 0.81 8.33 -51.83 3 9 -1 131 451.503 7 ↓

Parameters Provided:

ring.id = 99423
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 = 99423 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=99423&filter.purchasability=annotated

Embed Link to Results