UCSF

ZINC13780187

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 24 No

CAS Number: [40433-82-7]

Other Names:

MFCD20260473

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) 2.75 10.18 -52.5 0 4 -1 66 331.432 4

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 4710 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100499 Z100499 SARS Coronavirus 4710 0.31 Functional ≤ 10μM

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