UCSF

ZINC24763296

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 17 Yes

Popular Name: 1-(3,5-dichloro-4-pyridinyl)-4-piperidinecarboxamide 1-(3,5-dichloro-4-pyridinyl)-4-p…

Find On: PubMed — Wikipedia — Google

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) 1.90 1.8 -10.22 2 4 0 59 274.151 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50517-1-O Human Herpesvirus 5 Strain AD169 (cluster #1 Of 2), Other Other 5000 0.44 Functional ≤ 10μM
Z50530-3-O Human Herpesvirus 5 (cluster #3 Of 5), Other Other 3500 0.45 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50530 Z50530 Human Herpesvirus 5 3500 0.45 Functional ≤ 10μM
Z50517 Z50517 Human Herpesvirus 5 Strain AD169 5000 0.44 Functional ≤ 10μM

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

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