UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-8-(3-chloro-2-fluoro-phenyl)-1-methyl-7,8-dihydro-5H-oxazolo[4,5-g]quinoline-2,6-dione (8S)-8-(3-chloro-2-fluoro-phenyl…

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) 2.77 7.72 -12.66 1 5 0 64 346.745 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-8-(3-chloro-2-fluoro-phenyl)-1-methyl-7,8-dihydro-5H-oxazolo[4,5-g]quinoline-2,6-dione (8R)-8-(3-chloro-2-fluoro-phenyl…

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) 2.77 7.74 -12.69 1 5 0 64 346.745 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-8-[4-(1,2,4-triazol-1-yl)phenyl]-1,5,7,8-tetrahydrooxazolo[4,5-g]quinoline-2,6-dione (8S)-8-[4-(1,2,4-triazol-1-yl)ph…

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) 0.75 7.27 -19.86 2 8 0 106 347.334 2 ↓
Hi High (pH 8-9.5) 1.21 4.62 -51.69 1 8 -1 109 346.326 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-8-[4-(1,2,4-triazol-1-yl)phenyl]-1,5,7,8-tetrahydrooxazolo[4,5-g]quinoline-2,6-dione (8R)-8-[4-(1,2,4-triazol-1-yl)ph…

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) 0.75 7.28 -19.85 2 8 0 106 347.334 2 ↓
Hi High (pH 8-9.5) 1.21 4.64 -51.71 1 8 -1 109 346.326 2 ↓

Analogs

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) 0.76 5.84 -17.14 1 8 0 103 353.334 3 ↓

Analogs

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) 0.76 5.83 -17.15 1 8 0 103 353.334 3 ↓

Parameters Provided:

ring.id = 398613
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 = 398613 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=398613&filter.purchasability=annotated

Embed Link to Results