UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methyl-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic 2-[4-[(2R)-3-(1,3-benzodioxol-5-…

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) 3.95 8.9 -56.39 1 8 -1 100 431.424 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methyl-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic 2-[4-[(2S)-3-(1,3-benzodioxol-5-…

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) 3.95 8.9 -60.98 1 8 -1 100 431.424 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methyl-4-oxo-1H-quinazolin-2-yl]-2-methoxy-phenoxy]acetic 2-[4-[(2S)-3-(1,3-benzodioxol-5-…

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) 3.54 8.65 -61.49 1 9 -1 109 461.45 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methyl-4-oxo-1H-quinazolin-2-yl]-2-methoxy-phenoxy]acetic 2-[4-[(2R)-3-(1,3-benzodioxol-5-…

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) 3.54 8.66 -61.53 1 9 -1 109 461.45 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methyl-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic 2-[3-[(2R)-3-(1,3-benzodioxol-5-…

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) 3.93 8.9 -54.49 1 8 -1 100 431.424 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methyl-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic 2-[3-[(2S)-3-(1,3-benzodioxol-5-…

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) 3.93 8.92 -54.54 1 8 -1 100 431.424 5 ↓

Parameters Provided:

ring.id = 123159
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 = 123159 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=123159&filter.purchasability=annotated

Embed Link to Results