UCSF

ZINC06585361

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2006 20 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) -2.04 -2.68 -20.09 5 9 0 139 285.235 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0364559A1; EP0364559B1; EP0549615A1; EP0604409A1; EP0670897A1; EP0724647A1; EP0755255A1; EP0918787A1; EP0928419A1; EP0977767A1; EP1009860A1; EP1030935A1; EP1035870A1; EP1038027A1; US5660985; US5670633; US5773424; US5789573; US5856099; US5859221; US58722 IBM Patent Data

Activity (Go SEA)

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