UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20875187
20875187

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Popular Name: N-[2-(benzyloxy)-5-chlorobenzyl]-N-cyclopropylamine N-[2-(benzyloxy)-5-chlorobenzyl]…

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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) 4.12 -0.28 -34.28 2 2 1 25 288.798 6 ↓

Analogs

20874121
20874121
34656153
34656153
34825497
34825497
36765228
36765228
6703688
6703688

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Popular Name: N-[(2-benzyloxy-3-ethoxy-phenyl)methyl]cyclopropanamine N-[(2-benzyloxy-3-ethoxy-phenyl)…

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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) 3.65 0.62 -37.97 2 3 1 35 298.406 8 ↓

Analogs

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Popular Name: N-[(2-benzyloxy-4-propoxy-phenyl)methyl]cyclopropanamine N-[(2-benzyloxy-4-propoxy-phenyl…

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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) 4.38 10.33 -34.12 2 3 1 35 312.433 9 ↓

Analogs

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Popular Name: N-[[3-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine N-[[3-bromo-2-[(2-fluorophenyl)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) 4.34 10.23 -38.2 2 2 1 26 351.239 6 ↓

Analogs

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Popular Name: N-[[3-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine N-[[3-bromo-2-[(4-fluorophenyl)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) 4.39 10.09 -42.67 2 2 1 26 351.239 6 ↓

Analogs

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Popular Name: N-[[2-[(2,5-dimethylphenyl)methoxy]phenyl]methyl]cyclopropanamine N-[[2-[(2,5-dimethylphenyl)metho…

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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) 4.29 10.66 -34.33 2 2 1 26 282.407 6 ↓

Parameters Provided:

ring.id = 3850
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 = 3850 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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