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

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-3-ethyl-3-piperidyl]methanone [(1S)-1,6-dimethyl-3,4-dihydro-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) 1.71 7.03 -48.99 2 4 1 42 290.431 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3R)-3-ethyl-3-piperidyl]methanone [(1S)-1,6-dimethyl-3,4-dihydro-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) 1.71 7 -50.73 2 4 1 42 290.431 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-3-ethyl-3-piperidyl]methanone [(1R)-1,6-dimethyl-3,4-dihydro-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) 1.71 6.88 -47.86 2 4 1 42 290.431 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3R)-3-ethyl-3-piperidyl]methanone [(1R)-1,6-dimethyl-3,4-dihydro-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) 1.71 6.86 -49.81 2 4 1 42 290.431 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3R)-3-methyl-3-piperidyl]methanone [(1R)-1,6-dimethyl-3,4-dihydro-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) 1.38 6.48 -39.03 2 4 1 42 276.404 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.38 6.63 -39.04 2 4 1 42 276.404 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-3-methyl-3-piperidyl]methanone [(1R)-1,6-dimethyl-3,4-dihydro-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) 1.38 6.59 -38.83 2 4 1 42 276.404 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.38 6.71 -39.19 2 4 1 42 276.404 1 ↓

Parameters Provided:

ring.id = 292264
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 = 292264 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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