UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37038983
37038983
37038984
37038984
37038982
37038982
37038985
37038985
19677259
19677259

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Popular Name: (2R)-2-amino-2-cyclopropyl-N-methyl-N-[2-[methyl-(1-methyl-4-piperidyl)amino]ethyl]propanamide (2R)-2-amino-2-cyclopropyl-N-met…

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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) 0.83 3.89 -80.17 4 5 2 56 298.475 6 ↓
Lo Low (pH 4.5-6) 0.83 6.36 -163.61 5 5 3 57 299.483 6 ↓
Lo Low (pH 4.5-6) 0.83 3.96 -88.97 4 5 2 56 298.475 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-N-methyl-N-[2-[methyl-(1-methyl-4-piperidyl)amino]ethyl]propanamide (2S)-2-amino-2-cyclopropyl-N-met…

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) 0.83 4.51 -86.07 4 5 2 56 298.475 6 ↓
Lo Low (pH 4.5-6) 0.83 6.97 -171.96 5 5 3 57 299.483 6 ↓
Lo Low (pH 4.5-6) 0.83 4.57 -97.14 4 5 2 56 298.475 6 ↓

Parameters Provided:

ring.id = 579596
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 = 579596 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=579596&filter.purchasability=annotated

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