UCSF

ZINC13674318

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 Yes

Popular Name: 4-(4-chlorophenyl)-1-[(4R)-4-(o-tolyl)-4-phenyl-butyl]piperidin-4-ol 4-(4-chlorophenyl)-1-[(4R)-4-(o-…

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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) 6.58 15.2 -43.95 2 2 1 25 435.031 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
US28-1-V Human Herpesvirus 5 Chemokine Receptor (cluster #1 Of 1), Viral Viruses 5500 0.24 Binding ≤ 10μM
US28-1-V Human Herpesvirus 5 Chemokine Receptor (cluster #1 Of 1), Viral Viruses 9800 0.23 Functional ≤ 10μM
Z80107-2-O COS-7 (Kidney Cells) (cluster #2 Of 2), Other Other 9800 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
US28_HCMVA P69332 Human Herpesvirus 5 Chemokine Receptor, Hcmva 5500 0.24 Binding ≤ 10μM
Z80107 Z80107 COS-7 (Kidney Cells) 9800 0.23 Functional ≤ 10μM
US28_HCMVA P69332 Human Herpesvirus 5 Chemokine Receptor, Hcmva 9800 0.23 Functional ≤ 10μM

Rings

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

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