UCSF

ZINC12433064

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 16 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) 1.86 -0.28 -9.03 0 3 0 30 217.268 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0596406A1; EP0596406B1; EP0622361A1; EP0774462A1; US5563162; US5574042; US5708173; US5750699; US5922711; US6008229; US6015818; US6083959; US6083961; US6100284; US6127389; WO1997011069A1; WO1997028153A1; WO1997041104A1 IBM Patent Data

Activity (Go SEA)

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