UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25154846
25154846

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide 3-(2,4-dioxoquinazolin-1-yl)-N-[…

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) 0.90 -5.69 -22.39 2 8 0 118 415.471 6 ↓

Analogs

25154846
25154846

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide 3-(2,4-dioxoquinazolin-1-yl)-N-[…

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) 0.90 -5.69 -21.89 2 8 0 118 415.471 6 ↓

Analogs

12789270
12789270

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,4-dioxoquinazolin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide 3-(2,4-dioxoquinazolin-1-yl)-N-[…

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) 2.39 5.5 -14.63 2 7 0 93 407.348 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,4-dioxoquinazolin-1-yl)-N-[(3-methoxyphenyl)methyl]-N-methyl-propanamide 3-(2,4-dioxoquinazolin-1-yl)-N-[…

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) 1.75 7.06 -14.7 1 7 0 84 367.405 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,4-dioxoquinazolin-1-yl)-N-[(1R)-2-methyl-1-(o-tolyl)propyl]propanamide 3-(2,4-dioxoquinazolin-1-yl)-N-[…

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) 3.18 7.85 -12 2 6 0 84 379.46 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,4-dioxoquinazolin-1-yl)-N-[(1S)-2-methyl-1-(o-tolyl)propyl]propanamide 3-(2,4-dioxoquinazolin-1-yl)-N-[…

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) 3.18 8.21 -12.12 2 6 0 84 379.46 6 ↓

Parameters Provided:

ring.id = 10516
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 = 10516 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=10516&filter.purchasability=annotated

Embed Link to Results