UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34991946
34991946
34991947
34991947
34993540
34993540
44686467
44686467
44686470
44686470

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Popular Name: (3R)-1-benzyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-amine (3R)-1-benzyl-N-[(4-imidazol-1-y…

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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) 2.38 11.72 -43.47 2 4 1 34 333.459 6 ↓
Mid Mid (pH 6-8) 2.38 12.2 -79.82 3 4 2 36 334.467 6 ↓

Analogs

34991946
34991946
34991947
34991947
34993540
34993540
44686467
44686467
44686470
44686470

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-benzyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-amine (3S)-1-benzyl-N-[(4-imidazol-1-y…

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) 2.38 11.46 -44.85 2 4 1 34 333.459 6 ↓
Mid Mid (pH 6-8) 2.38 11.94 -80.48 3 4 2 36 334.467 6 ↓

Parameters Provided:

ring.id = 127222
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 = 127222 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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