UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16922862
16922862
16922991
16922991
16923681
16923681
16923006
16923006
16923003
16923003

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-[(5R)-2,4-dioxo-3-phenyl-thiazolidin-5-yl]acetyl]amino]-4-methyl-benzoic 3-[[2-[(5R)-2,4-dioxo-3-phenyl-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) 2.96 8.82 -67.51 1 7 -1 107 383.405 5 ↓

Analogs

16922862
16922862
16922991
16922991
16923681
16923681
16923006
16923006
16923003
16923003

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-[(5S)-2,4-dioxo-3-phenyl-thiazolidin-5-yl]acetyl]amino]-4-methyl-benzoic 3-[[2-[(5S)-2,4-dioxo-3-phenyl-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) 2.96 8.82 -66.69 1 7 -1 107 383.405 5 ↓

Analogs

16922862
16922862
16925966
16925966
16923003
16923003
16923006
16923006

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 2.98 8.33 -12.17 1 7 0 93 384.413 6 ↓

Analogs

16922862
16922862
16925966
16925966
16923003
16923003
16923006
16923006

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 2.98 8.33 -11.89 1 7 0 93 384.413 6 ↓

Parameters Provided:

ring.id = 101010
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 = 101010 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=101010&filter.purchasability=annotated

Embed Link to Results