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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20900323
20900323
15671754
15671754
15671755
15671755

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-benzyl-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1S)-N-benzyl-1-ethyl-6-methyl-3…

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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) 3.71 9.26 -8.39 1 4 0 37 297.402 3 ↓

Analogs

20900321
20900321
15671754
15671754
15671755
15671755

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-benzyl-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1R)-N-benzyl-1-ethyl-6-methyl-3…

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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) 3.71 9.27 -8.44 1 4 0 37 297.402 3 ↓

Analogs

20900379
20900379
20900393
20900393
20900395
20900395

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-benzyl-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1S)-N-benzyl-6-methyl-1-propyl-…

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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) 4.27 10.1 -8.36 1 4 0 37 311.429 4 ↓

Analogs

20900393
20900393
20900395
20900395
20900377
20900377

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-benzyl-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1R)-N-benzyl-6-methyl-1-propyl-…

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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) 4.27 10.14 -8.27 1 4 0 37 311.429 4 ↓

Analogs

20900395
20900395
20900377
20900377
20900379
20900379

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-6-methyl-1-propyl-N-(p-tolylmethyl)-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1S)-6-methyl-1-propyl-N-(p-toly…

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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) 4.72 10.76 -8.29 1 4 0 37 325.456 4 ↓

Analogs

20900377
20900377
20900379
20900379
20900393
20900393

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-6-methyl-1-propyl-N-(p-tolylmethyl)-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1R)-6-methyl-1-propyl-N-(p-toly…

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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) 4.72 10.81 -8.28 1 4 0 37 325.456 4 ↓

Parameters Provided:

ring.id = 82325
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 = 82325 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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