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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-7-[2-[[(1R)-1-methyl-2-(4-methylpyrazol-1-yl)ethyl]amino]ethyl]purine-2,6-dione 1,3-dimethyl-7-[2-[[(1R)-1-methy…

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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) 0.63 8.32 -50.4 2 9 1 96 346.415 6 ↓
Hi High (pH 8-9.5) 0.63 6.93 -13 1 9 0 92 345.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-7-[2-[[(1S)-1-methyl-2-(4-methylpyrazol-1-yl)ethyl]amino]ethyl]purine-2,6-dione 1,3-dimethyl-7-[2-[[(1S)-1-methy…

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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) 0.63 8.54 -49.05 2 9 1 96 346.415 6 ↓
Hi High (pH 8-9.5) 0.63 7.34 -14.71 1 9 0 92 345.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-7-[2-[[(1S,2R)-1-methyl-2-pyrazol-1-yl-propyl]amino]ethyl]purine-2,6-dione 1,3-dimethyl-7-[2-[[(1S,2R)-1-me…

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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) 0.62 8.15 -58.24 2 9 1 96 346.415 6 ↓
Hi High (pH 8-9.5) 0.62 6.96 -13.44 1 9 0 92 345.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-7-[2-[[(1R,2R)-1-methyl-2-pyrazol-1-yl-propyl]amino]ethyl]purine-2,6-dione 1,3-dimethyl-7-[2-[[(1R,2R)-1-me…

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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) 0.62 7.62 -58.04 2 9 1 96 346.415 6 ↓
Hi High (pH 8-9.5) 0.62 6.52 -14.12 1 9 0 92 345.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-7-[2-[[(1S,2S)-1-methyl-2-pyrazol-1-yl-propyl]amino]ethyl]purine-2,6-dione 1,3-dimethyl-7-[2-[[(1S,2S)-1-me…

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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) 0.62 7.66 -60.55 2 9 1 96 346.415 6 ↓
Hi High (pH 8-9.5) 0.62 6.62 -15.79 1 9 0 92 345.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-7-[2-[[(1R,2S)-1-methyl-2-pyrazol-1-yl-propyl]amino]ethyl]purine-2,6-dione 1,3-dimethyl-7-[2-[[(1R,2S)-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) 0.62 8.13 -61.31 2 9 1 96 346.415 6 ↓
Hi High (pH 8-9.5) 0.62 7.16 -15.04 1 9 0 92 345.407 6 ↓

Parameters Provided:

ring.id = 354872
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 = 354872 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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