UCSF

ZINC05767947

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 11 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) 2.76 3.38 -4.77 0 2 0 26 156.225 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0320234A2; EP0320234B1; EP0706536B1; EP0706537B1; EP0715637A1; EP0715637B1; EP0715638A1; EP0715638B1; US4068676; US5283282; US5622694; US5730966; US5916547; US5919439; US5980878; WO1995001384A1; WO1995006078A1; WO1995006079A1; WO2000047631A1; WO20000536 IBM Patent Data
PUBCHEM_PATENT_ID EP0665847A1; WO1994010177A1 IBM Patent Data

Activity (Go SEA)

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