UCSF

ZINC29482375

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 28 Yes

Popular Name: 1-(4-(2-(2-Phenylethyl)phenoxy)butyl)-4-piperidinecarboxylic acid hydrochloride; 2-(4-(4-Carboxypiperidino)butoxy)bibenzyl hydrochloride; 4-Piperidinecarboxylic acid, 1-(4-(2-(2-phenylethyl)phenoxy)butyl)-, hydrochloride; LS-114761 1-(4-(2-(2-Phenylethyl)phenoxy)b…

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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) 4.52 14.4 -64.38 1 4 0 54 381.516 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 6200 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50592 Z50592 Oryctolagus Cuniculus 6200 0.26 Functional ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.