UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

28955114
28955114

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methyl-2-[(5S)-4-oxo-6-[[4-(thiadiazol-4-yl)phenyl]me (2S)-N-[[(2R)-1-ethylpyrrolidin-…

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) 3.49 13.45 -87.87 3 8 2 84 540.778 10 ↓
Hi High (pH 8-9.5) 3.68 10.81 -52.41 2 8 1 90 539.77 10 ↓

Analogs

28955114
28955114

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methyl-2-[(5S)-4-oxo-6-[[4-(thiadiazol-4-yl)phenyl]me (2S)-N-[[(2S)-1-ethylpyrrolidin-…

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) 3.49 12.65 -86.55 3 8 2 84 540.778 10 ↓
Hi High (pH 8-9.5) 3.68 10.3 -56.4 2 8 1 90 539.77 10 ↓

Parameters Provided:

ring.id = 603934
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 = 603934 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=603934&filter.purchasability=annotated

Embed Link to Results