UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-1-isobutyl-5-[(4-isopropylphenyl)methyl-(3-methoxypropyl)amino]-pyrimidine-2,4-dione 6-amino-1-isobutyl-5-[(4-isoprop…

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) 3.31 -2.09 -11.87 3 7 0 93 402.539 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-1-ethyl-5-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]pyrimidine-2,4-dione 6-amino-1-ethyl-5-[[(1R)-2-hydro…

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) 0.11 0.91 -11.3 5 7 0 113 290.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-1-ethyl-5-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]pyrimidine-2,4-dione 6-amino-1-ethyl-5-[[(1S)-2-hydro…

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) 0.11 0.89 -11.21 5 7 0 113 290.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]-1-methyl-pyrimidine-2,4-dione 6-amino-5-[[(1R)-2-hydroxy-1-phe…

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) -0.27 -0.07 -11.42 5 7 0 113 276.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]-1-methyl-pyrimidine-2,4-dione 6-amino-5-[[(1S)-2-hydroxy-1-phe…

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) -0.27 -0.09 -11.36 5 7 0 113 276.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[(3,4-difluorophenyl)methylamino]-1-ethyl-pyrimidine-2,4-dione 6-amino-5-[(3,4-difluorophenyl)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) 0.81 3.4 -12.51 4 6 0 93 296.277 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-[(3,4-difluorophenyl)methylamino]-1-methyl-pyrimidine-2,4-dione 6-amino-5-[(3,4-difluorophenyl)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) 0.44 2.42 -12.62 4 6 0 93 282.25 3 ↓

Parameters Provided:

ring.id = 8820
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 = 8820 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=8820&filter.purchasability=annotated

Embed Link to Results