UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43893706
43893706
43893708
43893708
43893710
43893710
43893712
43893712
43893721
43893721

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Popular Name: N-[[(2R)-1-(3-pyridylmethyl)-2-piperidyl]methyl]cyclopropanamine N-[[(2R)-1-(3-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) 1.55 6.27 -40.73 2 3 1 33 246.378 5 ↓
Mid Mid (pH 6-8) 1.55 8.07 -120.23 3 3 2 34 247.386 5 ↓

Analogs

43893706
43893706
43893708
43893708
43893710
43893710
43893712
43893712
43893721
43893721

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Popular Name: N-[[(2S)-1-(3-pyridylmethyl)-2-piperidyl]methyl]cyclopropanamine N-[[(2S)-1-(3-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) 1.55 6.21 -37.39 2 3 1 33 246.378 5 ↓
Mid Mid (pH 6-8) 1.55 8.2 -117.29 3 3 2 34 247.386 5 ↓

Parameters Provided:

ring.id = 105896
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 = 105896 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=105896&filter.purchasability=annotated

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