UCSF

ZINC02018539

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 15 Yes

Popular Name: 4-Phenylbicyclo(2.2.2)octan-1-amine hydrochloride monohydrate; Bicyclo(2.2.2)octan-1-amine, 4-phenyl-, hydrochloride, monohydrate; LS-43765 4-Phenylbicyclo(2.2.2)octan-1-am…

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Download: MOL2 SDF SMILES Flexibase

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) 2.79 -1.48 -44.41 3 1 1 27 202.321 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-12-O Rattus Norvegicus (cluster #12 Of 12), Other Other 95 0.66 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 80 0.66 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )