UCSF

ZINC05893052

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 29 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) 4.34 11.52 -15.4 1 5 0 73 404.547 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0320052A2; EP0320052B1; EP0323866A2; EP0323866B1; EP0323867A1; EP0323867B1; EP0325817A1; EP0325817B1; EP0327165A1; EP0327166A1; EP0327166B1; EP0331238A2; EP0331239A2; EP0331240A2; EP0331250A2; EP0331250B1; EP0337548A2; EP0349060A2; EP0349063A2; EP034906 IBM Patent Data

Activity (Go SEA)

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