UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44123709
44123709
44123714
44123714

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Popular Name: N-[[4-[[ethyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]methyl]phenyl]methyl]cyclopropanamine N-[[4-[[ethyl-[[(2S)-tetrahydrof…

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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) 2.42 9.63 -82.04 3 3 2 30 290.451 8 ↓
Hi High (pH 8-9.5) 2.42 7.4 -36.51 2 3 1 29 289.443 8 ↓

Analogs

44123709
44123709
44123714
44123714

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[ethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]methyl]phenyl]methyl]cyclopropanamine N-[[4-[[ethyl-[[(2R)-tetrahydrof…

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) 2.42 9.94 -83.92 3 3 2 30 290.451 8 ↓
Hi High (pH 8-9.5) 2.42 7.41 -36.52 2 3 1 29 289.443 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]methyl]phenyl]methyl]cyclopropanamine N-[[4-[[methyl-[[(2S)-tetrahydro…

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) 2.04 8.91 -83.36 3 3 2 30 276.424 7 ↓
Mid Mid (pH 6-8) 2.04 6.52 -36.62 2 3 1 29 275.416 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]methyl]phenyl]methyl]cyclopropanamine N-[[4-[[methyl-[[(2R)-tetrahydro…

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) 2.04 8.93 -83.29 3 3 2 30 276.424 7 ↓
Mid Mid (pH 6-8) 2.04 6.54 -36.63 2 3 1 29 275.416 7 ↓

Parameters Provided:

ring.id = 248281
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 = 248281 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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