UCSF

ZINC05140293

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 28 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) 3.17 8.01 -12.22 1 6 0 81 376.412 2
Lo Low (pH 4.5-6) 3.17 8.26 -38.98 2 6 1 83 377.42 2

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Indications anticancer KeyOrganics Bioactives
PUBCHEM_PATENT_ID EP0074256A1; EP0074770A1; EP0296612A1; EP0296612B1; EP0650726B1; EP0735876A1; EP0758237A1; EP0831825A1; EP0847397A1; EP0929570A1; EP0934329A1; EP1017675A1; EP1029863A1; US4399282; US4473692; US4513138; US4545880; US4914205; US5447936; US5468754; US5569471 IBM Patent Data
Indications leukaemia KeyOrganics Bioactives

Activity (Go SEA)

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