UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

52294330
52294330
52294333
52294333
52294336
52294336
52294339
52294339

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-(cyclopropylmethyl)py…

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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) 1.75 7.64 -105.09 3 2 2 21 196.338 5 ↓
Hi High (pH 8-9.5) 1.75 7.3 -28.06 2 2 1 16 195.33 5 ↓
Mid Mid (pH 6-8) 1.75 5.37 -35.25 2 2 1 20 195.33 5 ↓

Analogs

52294330
52294330
52294333
52294333
52294336
52294336
52294339
52294339

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2S)-1-(cyclopropylmethyl)py…

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) 1.75 8.03 -107.85 3 2 2 21 196.338 5 ↓
Hi High (pH 8-9.5) 1.75 6.78 -29.24 2 2 1 16 195.33 5 ↓
Mid Mid (pH 6-8) 1.75 5.96 -32.4 2 2 1 20 195.33 5 ↓

Parameters Provided:

ring.id = 104807
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 = 104807 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=104807&filter.purchasability=annotated

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