UCSF

ZINC29321809

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 21 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) 3.21 6.48 -7.87 1 3 0 30 281.355 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTCA-1-E Protein Tyrosine Phosphatase Receptor Type C-associated Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 5300 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTCA_HUMAN Q14761 Protein Tyrosine Phosphatase Receptor Type C-associated Protein, Human 5300 0.35 Binding ≤ 10μM

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