UCSF

ZINC43552983

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 28 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) 8.07 9.93 -7.32 3 4 0 70 399.66 21

Vendor Notes

Note Type Comments Provided By
UniProt Database Links CERK1_HUMAN; CERK1_MOUSE ChEBI
PUBCHEM_PATENT_ID EP0920852A2 IBM Patent Data
PUBCHEM_PATENT_ID WO1999007337A1 IBM Patent Data

Activity (Go SEA)

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