UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37778578
37778578
37778579
37778579

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Popular Name: 1-cyclopropyl-N-[(1S)-2-(2-methoxyphenyl)-1-methyl-ethyl]piperidin-4-amine 1-cyclopropyl-N-[(1S)-2-(2-metho…

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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) 3.03 8.57 -30.92 2 3 1 26 289.443 6 ↓
Mid Mid (pH 6-8) 3.03 7.37 -35.08 2 3 1 29 289.443 6 ↓
Lo Low (pH 4.5-6) 3.03 9.58 -96.99 3 3 2 30 290.451 6 ↓

Analogs

37778578
37778578
37778579
37778579

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-N-[(1R)-2-(2-methoxyphenyl)-1-methyl-ethyl]piperidin-4-amine 1-cyclopropyl-N-[(1R)-2-(2-metho…

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) 3.03 9.36 -30.34 2 3 1 26 289.443 6 ↓
Mid Mid (pH 6-8) 3.03 7.86 -30.91 2 3 1 29 289.443 6 ↓
Lo Low (pH 4.5-6) 3.03 10.06 -92.98 3 3 2 30 290.451 6 ↓

Parameters Provided:

ring.id = 563951
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 = 563951 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=563951&filter.purchasability=annotated

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