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

Analogs

37004856
37004856
37004857
37004857
37004854
37004854
37004855
37004855

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-pyrrolidine-2-carboxamide (2S)-N-(6,7-dihydro-5H-pyrrolo[2…

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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) -0.72 5.33 -46.04 2 6 1 68 250.326 3 ↓

Analogs

37004856
37004856
37004857
37004857
37004854
37004854
37004855
37004855

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-pyrrolidine-2-carboxamide (2R)-N-(6,7-dihydro-5H-pyrrolo[2…

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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) -0.72 5.31 -44.71 2 6 1 68 250.326 3 ↓

Analogs

37004961
37004961
37004962
37004962
37004963
37004963
37004964
37004964

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-hydroxy-N-methyl-pyrrolidine-2- (2S,4S)-N-(6,7-dihydro-5H-pyrrol…

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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) -1.63 1.94 -50.27 3 7 1 88 266.325 3 ↓

Analogs

37004961
37004961
37004962
37004962
37004963
37004963
37004964
37004964

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-hydroxy-N-methyl-pyrrolidine-2- (2R,4S)-N-(6,7-dihydro-5H-pyrrol…

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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) -1.63 2.03 -47.3 3 7 1 88 266.325 3 ↓

Analogs

37004961
37004961
37004962
37004962
37004963
37004963
37004964
37004964

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-hydroxy-N-methyl-pyrrolidine-2- (2S,4R)-N-(6,7-dihydro-5H-pyrrol…

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) -1.63 1.99 -47.17 3 7 1 88 266.325 3 ↓

Analogs

37004961
37004961
37004962
37004962
37004963
37004963
37004964
37004964

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-hydroxy-N-methyl-pyrrolidine-2- (2R,4R)-N-(6,7-dihydro-5H-pyrrol…

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) -1.63 2.04 -48.48 3 7 1 88 266.325 3 ↓

Parameters Provided:

ring.id = 578100
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 = 578100 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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