UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethylphenyl)-6-methyl-pyrimidine-2,4-dione 1-(2,5-dimethylphenyl)-6-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) 2.13 5.92 -10.3 1 4 0 55 230.267 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione 1-(2,5-dimethylphenyl)pyrimidine…

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) 1.82 3.19 -40.07 1 5 -1 78 231.231 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dioxopyrimidin-1-yl)benzenesulfonyl 2-(2,4-dioxopyrimidin-1-yl)benze…

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) 0.72 1.83 -16.58 1 6 0 89 286.696 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chlorophenyl)pyrimidine-2,4-dione 1-(2-chlorophenyl)pyrimidine-2,4…

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) 1.50 4.71 -11.65 1 4 0 55 222.631 1 ↓
Hi High (pH 8-9.5) 1.96 1.96 -54.03 0 4 -1 58 221.623 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-6-(methylamino)-1-phenylpyrimidine-2,4(1H,3H)-dione 3-methyl-6-(methylamino)-1-pheny…

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) 0.71 5.08 -11.5 1 5 0 56 231.255 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-butylphenyl)-6-methyl-pyrimidine-2,4-dione 1-(4-butylphenyl)-6-methyl-pyrim…

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) 2.75 7.32 -9.99 1 4 0 55 258.321 4 ↓

Analogs

9024556
9024556

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4(1H,3H)-dione 1-(2,4-dimethylphenyl)-6-methylp…

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) 1.92 5.91 -10.22 1 4 0 55 230.267 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-fluorophenyl)-6-methyl-pyrimidine-2,4-dione 1-(2-fluorophenyl)-6-methyl-pyri…

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) 1.21 4.44 -12.5 1 4 0 55 220.203 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-bromophenyl)-6-methyl-pyrimidine-2,4-dione 1-(2-bromophenyl)-6-methyl-pyrim…

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) 1.86 5.24 -11.34 1 4 0 55 281.109 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-1-(m-tolyl)pyrimidine-2,4-dione 6-methyl-1-(m-tolyl)pyrimidine-2…

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) 1.52 4.98 -10.32 1 4 0 55 216.24 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethylphenyl)-6-methyl-pyrimidine-2,4-dione 1-(4-ethylphenyl)-6-methyl-pyrim…

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) 1.80 5.83 -9.88 1 4 0 55 230.267 2 ↓

Parameters Provided:

ring.id = 3979
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 = 3979 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=3979&filter.purchasability=annotated

Embed Link to Results