UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42781970
42781970
42782084
42782084
44675990
44675990
44675991
44675991
44675993
44675993

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cyclopropanamine N-ethyl-N-(1,2,3,4-tetrahydroqui…

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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) 2.83 8.43 -30.21 2 2 1 16 231.363 4 ↓

Analogs

42781970
42781970
44675990
44675990
44675991
44675991
44675993
44675993
44675995
44675995

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cyclopropanamine N-methyl-N-(1,2,3,4-tetrahydroqu…

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) 2.45 7.81 -30.94 2 2 1 16 217.336 3 ↓

Analogs

42781970
42781970
44675990
44675990
44675991
44675991
44675993
44675993
44675995
44675995

Draw Identity 99% 90% 80% 70%

Popular Name: N-propyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cyclopropanamine N-propyl-N-(1,2,3,4-tetrahydroqu…

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) 3.33 9.16 -30.72 2 2 1 16 245.39 5 ↓

Parameters Provided:

ring.id = 138071
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 = 138071 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=138071&filter.purchasability=annotated

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