UCSF

ZINC40762532

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 20 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) 3.94 8.13 -9.59 0 3 0 36 268.312 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100748-1-O Neutrophils (cluster #1 Of 2), Other Other 2600 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100748 Z100748 Neutrophils 2600 0.39 Functional ≤ 10μM

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