UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-1-ethyl-3-[(1-isopropylpyrazol-3-yl)methyl]pyrimidine-2,4-dione 5-amino-1-ethyl-3-[(1-isopropylp…

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 4.67 -14.9 2 7 0 88 277.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-3-[(1-isopropylpyrazol-3-yl)methyl]-1-propyl-pyrimidine-2,4-dione 5-amino-3-[(1-isopropylpyrazol-3…

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) 0.77 5.44 -14.6 2 7 0 88 291.355 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1-isopropylpyrazol-3-yl)methyl]-1-propyl-pyrimidine-2,4-dione 3-[(1-isopropylpyrazol-3-yl)meth…

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) 1.03 7.49 -17.48 0 6 0 62 276.34 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-3-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]-1-methyl-pyrimidine-2,4-dione 5-amino-3-[[1-(1-ethylpropyl)pyr…

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 5.31 -14.57 2 7 0 88 291.355 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-1-methyl-3-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]pyrimidine-2,4-dione 5-amino-1-methyl-3-[[1-[(1R)-1-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) 0.39 4.35 -14.9 2 7 0 88 277.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-1-methyl-3-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]pyrimidine-2,4-dione 5-amino-1-methyl-3-[[1-[(1S)-1-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) 0.39 4.33 -14.84 2 7 0 88 277.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-1-ethyl-3-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]pyrimidine-2,4-dione 5-amino-1-ethyl-3-[[1-[(1R)-1-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) 0.77 5.32 -14.67 2 7 0 88 291.355 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-1-ethyl-3-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]pyrimidine-2,4-dione 5-amino-1-ethyl-3-[[1-[(1S)-1-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) 0.77 5.3 -14.65 2 7 0 88 291.355 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]pyrimidine-2,4-dione 1-ethyl-3-[[1-(1-ethylpropyl)pyr…

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) 1.54 8.33 -16.9 0 6 0 62 290.367 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]pyrimidine-2,4-dione 1-ethyl-3-[[1-[(1R)-1-methylprop…

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) 1.03 7.37 -17.2 0 6 0 62 276.34 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]pyrimidine-2,4-dione 1-ethyl-3-[[1-[(1S)-1-methylprop…

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) 1.03 7.35 -17.19 0 6 0 62 276.34 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]-1-methyl-pyrimidine-2,4-dione 3-[[1-(1-ethylpropyl)pyrazol-3-y…

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 7.37 -17.19 0 6 0 62 276.34 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]-1-propyl-pyrimidine-2,4-dione 3-[[1-[(1S)-1-methylpropyl]pyraz…

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) 1.54 8.12 -17.3 0 6 0 62 290.367 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]-1-propyl-pyrimidine-2,4-dione 3-[[1-[(1R)-1-methylpropyl]pyraz…

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) 1.54 8.12 -17.29 0 6 0 62 290.367 6 ↓

Parameters Provided:

ring.id = 512943
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 = 512943 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=512943&filter.purchasability=annotated

Embed Link to Results