UCSF

ZINC04720625

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2006 33 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) 4.58 2.09 -22.77 0 2 1 8 471.715 5

Activity (Go SEA)

ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z102117 Z102117 Transmissible Gastroenteritis Virus 6200 0.22 Functional ≤ 10μM

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