UCSF

ZINC04556773

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 16 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) -1.64 -2.13 -72.89 3 5 0 88 228.292 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0291982A2; EP0291982B1; EP0366662A1; EP0387231A2; EP0387231B1; EP0475160B1; EP0482966A3; EP0495049A1; EP0495049B1; EP0551329A1; EP0551329B1; EP0552999A1; EP0621873A1; EP0621873B1; EP0672680A1; EP0691401A1; EP0749495A1; EP0832972A2; EP0832972A3; EP090632 IBM Patent Data

Activity (Go SEA)

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