UCSF

ZINC03978565

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 16 Yes

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) 4.97 6.18 -2.1 1 1 0 20 222.372 1

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100499-2-O SARS Coronavirus (cluster #2 Of 2), Other Other 4440 0.47 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100499 Z100499 SARS Coronavirus 4440 0.47 Functional ≤ 10μM

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