UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R,5S)-3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-3-(aminomethyl)-N-(cyclo…

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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) 1.26 4.65 -24.26 3 3 1 34 252.426 5 ↓
Hi High (pH 8-9.5) 1.26 6.68 -30.26 3 3 1 34 252.426 5 ↓
Mid Mid (pH 6-8) 1.26 7.01 -89.55 4 3 2 35 253.434 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,5R)-3-(cyclopropylmethylamino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol [(1S,5R)-3-(cyclopropylmethylami…

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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) 1.20 4.53 -93.46 4 3 2 41 226.364 4 ↓
Hi High (pH 8-9.5) 1.20 2.19 -28.59 3 3 1 40 225.356 4 ↓
Hi High (pH 8-9.5) 1.20 4.81 -30.1 3 3 1 37 225.356 4 ↓

Parameters Provided:

ring.id = 325015
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 = 325015 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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