UCSF

ZINC15609263

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2008 21 No

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) 1.94 -2.01 -5.9 4 6 0 99 306.399 10

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101682-2-O BK Polyomavirus (cluster #2 Of 2), Other Other 6350 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z101682 Z101682 BK Polyomavirus 6350 0.35 Functional ≤ 10μM

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