UCSF

ZINC00966965

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 23 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) 3.27 -0.51 -58.59 0 4 -1 62 340.405 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DUS22-1-E Dual Specificity Phosphatase 22 (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DUS22_HUMAN Q9NRW4 Dual Specificity Phosphatase 22, Human 6600 0.32 Binding ≤ 10μM

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