UCSF

ZINC38436554

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 18 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) 1.71 2.32 -10.04 4 4 0 75 242.278 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50650-1-O Measles Virus (cluster #1 Of 1), Other Other 260 0.51 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50650 Z50650 Measles Virus 260 0.51 Functional ≤ 10μM

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