UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43894590
43894590
43894592
43894592
43894594
43894594
43894595
43894595
43894596
43894596

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Popular Name: N-[[(2R)-1-(2-pyridylmethyl)-2-piperidyl]methyl]cyclopropanamine N-[[(2R)-1-(2-pyridylmethyl)-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) 1.62 6.65 -39.07 2 3 1 33 246.378 5 ↓
Mid Mid (pH 6-8) 1.62 8.5 -113.07 3 3 2 34 247.386 5 ↓
Mid Mid (pH 6-8) 1.62 6.7 -93.04 3 3 2 34 247.386 5 ↓

Analogs

43894590
43894590
43894592
43894592
43894594
43894594
43894595
43894595
43894596
43894596

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1-(2-pyridylmethyl)-2-piperidyl]methyl]cyclopropanamine N-[[(2S)-1-(2-pyridylmethyl)-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) 1.62 6.19 -31.36 2 3 1 33 246.378 5 ↓
Mid Mid (pH 6-8) 1.62 8.14 -105.31 3 3 2 34 247.386 5 ↓
Mid Mid (pH 6-8) 1.62 6.86 -89.76 3 3 2 34 247.386 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1-[(6-methoxy-2-pyridyl)methyl]-2-piperidyl]methyl]cyclopropanamine N-[[(2R)-1-[(6-methoxy-2-pyridyl…

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) 2.02 5.3 -41.69 2 4 1 42 276.404 6 ↓
Mid Mid (pH 6-8) 2.02 7.17 -118.49 3 4 2 43 277.412 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1-[(6-methoxy-2-pyridyl)methyl]-2-piperidyl]methyl]cyclopropanamine N-[[(2S)-1-[(6-methoxy-2-pyridyl…

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) 2.02 4.61 -33.88 2 4 1 42 276.404 6 ↓
Mid Mid (pH 6-8) 2.02 6.6 -110.98 3 4 2 43 277.412 6 ↓

Parameters Provided:

ring.id = 105893
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 = 105893 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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