UCSF
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Analogs

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Popular Name: 6,7-Dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethanol 6,7-Dihydro-5H-pyrrolo[1,2-a]imi…

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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) -0.01 1.84 -28.39 2 3 1 39 139.178 1 ↓
Mid Mid (pH 6-8) -0.01 1.42 -13 1 3 0 38 138.17 1 ↓

Analogs

17208982
17208982

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Popular Name: 1-(2-chlorobenzyl)-3-(p-tolyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium 1-(2-chlorobenzyl)-3-(p-tolyl)-6…

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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) 1.42 2.4 -28.27 0 2 1 8 323.847 3 ↓

Analogs

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Popular Name: 1-tert-butyl-3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium 1-tert-butyl-3-phenyl-6,7-dihydr…

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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) -0.07 2.43 -24.2 0 2 1 8 241.358 2 ↓

Analogs

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Popular Name: 5H-Pyrrolo[1,2-a]imidazole-3-carboxylic acid, 2-amino-6,7-dihydro-, ethyl ester 5H-Pyrrolo[1,2-a]imidazole-3-car…

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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) 0.46 4.53 -10.62 2 5 0 70 195.222 3 ↓
Mid Mid (pH 6-8) 0.46 4.97 -32.03 3 5 1 71 196.23 3 ↓

Analogs

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Popular Name: Methanone, (2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)(4-chlorophenyl)- Methanone, (2-amino-6,7-dihydro-…

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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) 2.39 -1.71 -10.11 2 4 0 60 261.712 2 ↓

Analogs

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Popular Name: 3-Iodo-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole 3-Iodo-6,7-dihydro-5H-pyrrolo[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) 1.62 5.12 -6.82 0 2 0 18 234.04 0 ↓
Lo Low (pH 4.5-6) 1.62 5.59 -27.79 1 2 1 19 235.048 0 ↓

Parameters Provided:

ring.id = 71312
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 = 71312 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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