UCSF

ZINC03817231

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 17 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) -1.96 -8.74 -19.92 4 7 0 110 245.21 2

Vendor Notes

Note Type Comments Provided By
MP 167 TCI
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0552178A1; EP0552178B1; EP0670897A1; EP0828849A1; EP0837933A1; EP0918787A1; EP0928290A1; EP0957929A1; EP1009860A1; EP1030935A1; EP1035870A1; EP1038027A1; EP1042348A1; US5672695; US5698687; US5789573; US5817635; US5856085; US5859221; US5872232; US5872242 IBM Patent Data

Activity (Go SEA)

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