UCSF

ZINC04280782

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 18 No

Other Names:

WR-289009

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) 2.58 1.53 -10.12 0 3 0 39 239.274 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
P90584-1-E Protein Kinase Pfmrk (cluster #1 Of 2), Eukaryotic Eukaryotes 8200 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
P90584_PLAFA P90584 Protein Kinase Pfmrk, Plafa 8200 0.40 Binding ≤ 10μM

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