UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[[4-(2-methoxyethoxy)phenyl]methyl]azetidine 3-[[4-(2-methoxyethoxy)phenyl]me…

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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) 2.08 4.73 -42.8 2 3 1 35 222.308 6 ↓

Analogs

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Popular Name: 3-[(3-propoxyphenyl)methyl]azetidine 3-[(3-propoxyphenyl)methyl]azeti…

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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) 3.04 6.26 -40.67 2 2 1 26 206.309 5 ↓

Analogs

38004684
38004684
38004685
38004685
38004686
38004686
38004687
38004687

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Popular Name: 3-(2-bromobenzyl)azetidine 3-(2-bromobenzyl)azetidine

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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) 2.90 5.33 -36.93 2 1 1 17 227.125 2 ↓

Analogs

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Popular Name: 3-{[2-(trifluoromethoxy)phenyl]methyl}azetidine hydrochloride 3-{[2-(trifluoromethoxy)phenyl]m…

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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) 3.06 5.09 -40.66 2 2 1 26 232.225 4 ↓

Analogs

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Popular Name: 3-{[3-(trifluoromethoxy)phenyl]methyl}azetidine hydrochloride 3-{[3-(trifluoromethoxy)phenyl]m…

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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) 3.08 5.03 -42.79 2 2 1 26 232.225 4 ↓

Analogs

38004514
38004514
38004515
38004515
38004516
38004516
38004517
38004517

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Popular Name: 3-[(2,5-difluorophenyl)methyl]azetidine hydrochloride 3-[(2,5-difluorophenyl)methyl]az…

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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 5.24 -38.52 2 1 1 17 184.209 2 ↓

Parameters Provided:

ring.id = 26542
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 = 26542 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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