UCSF
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Popular Name: (4-amino-5-methyl-2-thienyl)-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (4-amino-5-methyl-2-thienyl)-[(1…

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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) 2.17 6.01 -9 2 4 0 51 289.404 1 ↓
Lo Low (pH 4.5-6) 2.17 5.8 -49.16 3 4 1 53 290.412 1 ↓

Analogs

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Popular Name: (4-amino-5-methyl-2-thienyl)-[(1S)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (4-amino-5-methyl-2-thienyl)-[(1…

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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) 2.17 6.11 -8.66 2 4 0 51 289.404 1 ↓
Lo Low (pH 4.5-6) 2.17 5.9 -46.95 3 4 1 53 290.412 1 ↓

Analogs

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Popular Name: (3-amino-2-thienyl)-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (3-amino-2-thienyl)-[(1R)-1,6-di…

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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) 1.95 5.24 -9.44 2 4 0 51 275.377 1 ↓
Lo Low (pH 4.5-6) 1.95 5.16 -39.14 3 4 1 53 276.385 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-amino-2-thienyl)-[(1S)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (3-amino-2-thienyl)-[(1S)-1,6-di…

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) 1.95 5.38 -8.77 2 4 0 51 275.377 1 ↓
Lo Low (pH 4.5-6) 1.95 5.26 -37.36 3 4 1 53 276.385 1 ↓

Parameters Provided:

ring.id = 15472
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 = 15472 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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