UCSF

ZINC04762523

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 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) -1.49 -4.49 -65.41 5 6 0 117 280.324 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0324659A2; EP0324659B1; EP0347890A1; EP0393786A1; EP0393786B1; EP0410372A1; EP0475160B1; EP0532466A3; EP0618222A3; EP0626178A1; US5036052; US5340734; US5643878; US5663168; US5770083; US5977076; US6165500; WO1986004334A1; WO1991017182A1; WO1995011317A1 IBM Patent Data

Activity (Go SEA)

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