UCSF

ZINC04982971

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 19 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) 0.34 5.56 -14.1 1 4 0 64 262.305 0

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.682 Bitter DB
PUBCHEM_PATENT_ID EP0502661A2; EP0502661A3; EP0533744A1; EP0659190A1; US5250735; US5281622; US5348946; US5593970; US5606037; US5663196; US5736523; US5804206; US5905089; WO1991019725A2; WO1994011382A1; WO1995006476A1; WO1998038971A1; WO2000055338A1 IBM Patent Data

Activity (Go SEA)

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