UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(2,3,6-trimethylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one 4-methyl-1-[(2,3,6-trimethylphen…

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) 3.84 12.74 -13.05 0 6 0 61 348.406 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-acetylphenoxy)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one 1-[(3-acetylphenoxy)methyl]-4-me…

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) 2.51 11.32 -19.59 0 7 0 79 348.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-bromophenoxy)methyl]-4-methyl-[1,2,4]triazolo[4,5-a]quinazolin-5-one 1-[(3-bromophenoxy)methyl]-4-met…

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) 3.42 11.57 -11.9 0 6 0 61 385.221 3 ↓

Analogs

12565048
12565048

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-methoxyphenoxy)methyl]-4-methyl-[1,2,4]triazolo[4,5-a]quinazolin-5-one 1-[(2-methoxyphenoxy)methyl]-4-m…

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) 2.25 10.83 -15.43 0 7 0 71 336.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(4-methylsulfanylphenoxy)methyl]-[1,2,4]triazolo[4,5-a]quinazolin-5-one 4-methyl-1-[(4-methylsulfanylphe…

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) 3.07 11.95 -13.46 0 6 0 61 352.419 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl)methoxy]phenyl]acetamide N-[2-[(4-methyl-5-oxo-[1,2,4]tri…

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) 1.81 9.95 -17.27 1 8 0 91 363.377 4 ↓

Analogs

12556394
12556394

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]benzamide 2-[(4,7-dimethyl-5-oxo-[1,2,4]tr…

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) 2.38 9.67 -21.73 2 8 0 105 363.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-bromophenoxy)methyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one 1-[(4-bromophenoxy)methyl]-4,7-d…

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) 3.87 12.24 -11.9 0 6 0 61 399.248 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-chlorophenoxy)methyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one 1-[(3-chlorophenoxy)methyl]-4,7-…

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) 3.72 12.14 -12.92 0 6 0 61 354.797 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,7-dimethyl-1-[[2-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one 4,7-dimethyl-1-[[2-(trifluoromet…

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) 3.91 12.72 -15.8 0 6 0 61 388.349 4 ↓

Parameters Provided:

ring.id = 103316
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 = 103316 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=103316&filter.purchasability=annotated

Embed Link to Results