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Analogs

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Popular Name: 2-[[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]methyl]-5,6-dimethyl-1H-thieno[2,3-d]pyrimidin-4-one 2-[[[(1S)-2-cyclopropyl-1-methyl…

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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) 2.48 7.26 -51.3 3 4 1 62 292.428 5 ↓
Hi High (pH 8-9.5) 2.48 6.15 -9.98 2 4 0 58 291.42 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]methyl]-5,6-dimethyl-1H-thieno[2,3-d]pyrimidin-4-one 2-[[[(1R)-2-cyclopropyl-1-methyl…

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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) 2.48 7.3 -51.9 3 4 1 62 292.428 5 ↓
Hi High (pH 8-9.5) 2.48 6.08 -9.72 2 4 0 58 291.42 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(1S)-1-(cyclopropylmethyl)propyl]amino]methyl]-5,6-dimethyl-1H-thieno[2,3-d]pyrimidin-4-one 2-[[[(1S)-1-(cyclopropylmethyl)p…

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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) 3.01 7.85 -51.8 3 4 1 62 306.455 6 ↓
Hi High (pH 8-9.5) 3.01 6.66 -9.72 2 4 0 58 305.447 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(1R)-1-(cyclopropylmethyl)propyl]amino]methyl]-5,6-dimethyl-1H-thieno[2,3-d]pyrimidin-4-one 2-[[[(1R)-1-(cyclopropylmethyl)p…

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) 3.01 7.92 -52.48 3 4 1 62 306.455 6 ↓
Hi High (pH 8-9.5) 3.01 6.88 -9.92 2 4 0 58 305.447 6 ↓

Parameters Provided:

ring.id = 522198
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 = 522198 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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