UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34652959
34652959

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Popular Name: N-[[5-(5-bromo-2-fluoro-phenyl)-2-thienyl]methyl]cyclopropanamine N-[[5-(5-bromo-2-fluoro-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) 4.58 9.6 -38.08 2 1 1 17 327.242 4 ↓
Hi High (pH 8-9.5) 4.58 8.32 -4 1 1 0 12 326.234 4 ↓

Analogs

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Popular Name: N-[[5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-thienyl]methyl]cyclopropanamine N-[[5-[2-fluoro-5-(trifluorometh…

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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) 4.67 9.97 -38.8 2 1 1 17 316.343 5 ↓
Hi High (pH 8-9.5) 4.67 8.7 -4.11 1 1 0 12 315.335 5 ↓

Analogs

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Popular Name: N-[[5-[3-(methoxymethyl)phenyl]-2-thienyl]methyl]cyclopropanamine N-[[5-[3-(methoxymethyl)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) 3.61 8.56 -38.88 2 2 1 26 274.409 6 ↓
Hi High (pH 8-9.5) 3.61 7.28 -5.46 1 2 0 21 273.401 6 ↓

Analogs

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Popular Name: N-[[5-[2-(methoxymethyl)phenyl]-2-thienyl]methyl]cyclopropanamine N-[[5-[2-(methoxymethyl)phenyl]-…

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) 3.59 8.67 -39.61 2 2 1 26 274.409 6 ↓
Hi High (pH 8-9.5) 3.59 7.4 -4.45 1 2 0 21 273.401 6 ↓

Parameters Provided:

ring.id = 109653
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 = 109653 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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