UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: benzenepropanamine, N-[1-[2-(2-phenylethoxy)phenyl]ethyl]- benzenepropanamine, N-[1-[2-(2-p…

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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) 6.19 14.64 -42 2 2 1 26 360.521 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzenepropanamine, N-[1-[2-(2-phenylethoxy)phenyl]ethyl]- benzenepropanamine, N-[1-[2-(2-p…

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) 6.19 14.61 -41.84 2 2 1 26 360.521 10 ↓

Analogs

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Popular Name: benzenepropanamine, N-[[3-methoxy-2-(2-phenylethoxy)phenyl]methyl]- benzenepropanamine, N-[[3-methox…

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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) 5.44 13.92 -45.51 2 3 1 35 376.52 11 ↓
Hi High (pH 8-9.5) 5.44 12.57 -6.92 1 3 0 30 375.512 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzenepropanamine, N-[[2-(2-phenylethoxy)phenyl]methyl]- benzenepropanamine, N-[[2-(2-phe…

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) 5.63 13.94 -41.45 2 2 1 26 346.494 10 ↓

Parameters Provided:

ring.id = 488183
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 = 488183 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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