UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-{[(1-(4-chlorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-N,N-dimethylbenzamide 4-{[(1-(4-chlorophenyl)-2,4,6-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) 1.16 6.81 -14.4 2 8 0 104 412.833 4 ↓
Ref Reference (pH 7) 1.16 6.8 -14.57 2 8 0 104 412.833 4 ↓

Analogs

4852163
4852163

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-4-{[(2,4,6-trioxo-1-phenyltetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzamide N,N-dimethyl-4-{[(2,4,6-trioxo-1…

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) 0.48 6.28 -15.83 2 8 0 104 378.388 4 ↓

Analogs

33913197
33913197

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]amino]benzoic 3-[[(E)-[1-(3,4-dimethylphenyl)-…

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) 2.43 8.18 -53.87 2 8 -1 124 378.364 4 ↓

Analogs

33913197
33913197

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-4-[[(Z)-[2,4,6-trioxo-1-(p-tolyl)hexahydropyrimidin-5-ylidene]methyl]amino]benzoic 2-hydroxy-4-[[(Z)-[2,4,6-trioxo-…

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) 1.87 5.69 -52.19 3 9 -1 144 380.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[[(2-aminophenyl)amino]methylene]-1-phenyl-hexahydropyrimidine-2,4,6-trione (5Z)-5-[[(2-aminophenyl)amino]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) 0.95 4.49 -10.82 4 7 0 110 322.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-hydroxy-5-[(E)-(2-methoxy-5-nitro-phenyl)iminomethyl]-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione 6-hydroxy-5-[(E)-(2-methoxy-5-ni…

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) 1.51 5.81 -14.14 2 11 0 148 412.358 6 ↓
Ref Reference (pH 7) 1.51 5.82 -14.45 2 11 0 148 412.358 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 2-chloro-5-{[(1-(3-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate ethyl 2-chloro-5-{[(1-(3-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) 2.96 9.04 -14.3 2 8 0 110 427.844 6 ↓
Ref Reference (pH 7) 2.96 9.04 -14.19 2 8 0 110 427.844 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-({5-nitro-2-methoxyanilino}methylene)-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione 5-({5-nitro-2-methoxyanilino}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) 1.45 6.54 -14.24 2 10 0 139 382.332 5 ↓
Ref Reference (pH 7) 1.45 6.54 -14.33 2 10 0 139 382.332 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-chloro-4-methylanilino)methylene]-1-(3-chlorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione 5-[(3-chloro-4-methylanilino)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) 3.43 8.02 -9.27 2 6 0 84 390.226 3 ↓
Ref Reference (pH 7) 3.43 8.02 -9.29 2 6 0 84 390.226 3 ↓

Parameters Provided:

ring.id = 4683
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 = 4683 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=4683&filter.purchasability=annotated

Embed Link to Results