UCSF

ZINC05934785

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 9 Yes

CAS Numbers: 4565-32-6 , 95-15-8

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) 2.36 6.07 -4.4 0 0 0 0 136.219 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0973778A1; EP1017697A1; EP1062218A1; US4868210; US4948806; US4999373; US5972978; US6043247; US6063800; US6080770; US6090797; WO1998040385A1; WO1999015529A1; WO1999045013A1; WO1999046236A1; WO1999046237A1; WO1999046244A1; WO1999046267A1; WO1999046268A1 IBM Patent Data

Activity (Go SEA)

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