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Analogs

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Popular Name: 1-butyl-3-ethyl-4,5,7,9-tetrahydropurine-2,6,8-trione 1-butyl-3-ethyl-4,5,7,9-tetrahyd…

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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) 0.12 -1.51 -14.89 2 7 0 85 254.29 4 ↓

Analogs

6639288
6639288
6639328
6639328
6639332
6639332

Draw Identity 99% 90% 80% 70%

Popular Name: 1-butyl-3-ethyl-4,5,7,9-tetrahydropurine-2,6,8-trione 1-butyl-3-ethyl-4,5,7,9-tetrahyd…

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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) 0.12 -2.47 -12.66 2 7 0 85 254.29 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-butyl-3-ethyl-4,5,7,9-tetrahydropurine-2,6,8-trione 1-butyl-3-ethyl-4,5,7,9-tetrahyd…

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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) 0.12 -2.51 -12.78 2 7 0 85 254.29 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-butyl-3-ethyl-4,5,7,9-tetrahydropurine-2,6,8-trione 1-butyl-3-ethyl-4,5,7,9-tetrahyd…

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) 0.12 -1.36 -14.83 2 7 0 85 254.29 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5R)-8-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,9-trimethyl-4,5-dihydropurine-2,6-dione (4R,5R)-8-[(5-amino-1H-1,2,4-tri…

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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) -1.01 1.77 -49.8 2 10 -1 122 309.335 2 ↓
Mid Mid (pH 6-8) -1.01 2.1 -15.95 3 10 0 124 310.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-8-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,9-trimethyl-4,5-dihydropurine-2,6-dione (4S,5R)-8-[(5-amino-1H-1,2,4-tri…

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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) -1.01 2.6 -53.28 2 10 -1 122 309.335 2 ↓
Mid Mid (pH 6-8) -1.01 2.92 -18.03 3 10 0 124 310.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-8-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,9-trimethyl-4,5-dihydropurine-2,6-dione (4R,5S)-8-[(5-amino-1H-1,2,4-tri…

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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) -1.01 2.6 -53.55 2 10 -1 122 309.335 2 ↓
Mid Mid (pH 6-8) -1.01 2.92 -18.11 3 10 0 124 310.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-8-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,9-trimethyl-4,5-dihydropurine-2,6-dione (4S,5S)-8-[(5-amino-1H-1,2,4-tri…

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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) -1.01 1.73 -49.83 2 10 -1 122 309.335 2 ↓
Mid Mid (pH 6-8) -1.01 2.06 -16.05 3 10 0 124 310.343 2 ↓

Parameters Provided:

ring.id = 3132
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 = 3132 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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