UCSF

ZINC02049690

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 36 No

Other Names:

MFCD02374276

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) 5.98 2.07 -50.39 0 8 -1 110 525.99 8

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTN7-1-E Protein-tyrosine Phosphatase LC-PTP (cluster #1 Of 1), Eukaryotic Eukaryotes 690 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTN7_HUMAN P35236 Protein-tyrosine Phosphatase LC-PTP, Human 1000 0.23 Binding ≤ 1μM
PTN7_HUMAN P35236 Protein-tyrosine Phosphatase LC-PTP, Human 1000 0.23 Binding ≤ 10μM

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